| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and density functional calculations of core excitation spectra of CO, H2CO and F2CO
|
Fronzoni, G.
|
|
1996
|
1-10 |
Index 1 |
p. 447-459
13 p.
|
artikel
|
| 2 |
Ab initio and DFT anharmonic spectroscopic investigation of 1,3-cyclopentadiene
|
Alparone, A.
|
|
2006
|
1-10 |
Index 1 |
p. 127-136
10 p.
|
artikel
|
| 3 |
Ab initio and pseudopotential investigations on the SiH
n
(n = 1–3) radicals and their anions
|
Kalcher, Josef
|
|
1987
|
1-10 |
Index 1 |
p. 273-284
12 p.
|
artikel
|
| 4 |
Ab initio calculation of nuclear quadruple coupling constants of rovibrational levels of 11B2H, 10B1H10B1H in the double-minimum B1Σ+ electronic state
|
Šavrda, J.
|
|
1993
|
1-10 |
Index 1 |
p. 265-276
12 p.
|
artikel
|
| 5 |
Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the X 1Σ+ state of all isotopic variants of BH
|
Vojtík, J.
|
|
1991
|
1-10 |
Index 1 |
p. 65-71
7 p.
|
artikel
|
| 6 |
Ab initio calculation of the nuclear quadrupole coupling constants of rovibrational levels in the X2
Σ
+ state of all isotopic variants of LiH−
|
Vojtík, J.
|
|
1995
|
1-10 |
Index 1 |
p. 47-53
7 p.
|
artikel
|
| 7 |
AB initio calculation of vertical transition energies of the C2H2 molecule
|
Kammer, W.E.
|
|
1974
|
1-10 |
Index 1 |
p. 408-417
10 p.
|
artikel
|
| 8 |
Ab initio calculations and supersonic jet studies on the geometry of 4-dimethylaminobenzonitrile (DMABN) and related compounds in the ground and excited state
|
Lommatzsch, Uwe
|
|
1998
|
1-10 |
Index 1 |
p. 35-57
23 p.
|
artikel
|
| 9 |
Ab initio calculations for (BrO)2 system and quasiclassical dynamics study of BrO self-reaction
|
Papayannis, Demetrios
|
|
1999
|
1-10 |
Index 1 |
p. 249-262
14 p.
|
artikel
|
| 10 |
Ab initio calculations for dipole-forbidden transitions in NBr: Radiative lifetimes of the b 1Σ+ and a 1Δ states
|
Bhanuprakash, K.
|
|
1989
|
1-10 |
Index 1 |
p. 345-354
10 p.
|
artikel
|
| 11 |
Ab initio calculations of radiative transition probabilities in the X1σ+ state of SiO and the X 2σ+and A 2 Π states of SiO+
|
Werner, Hans-Joachim
|
|
1982
|
1-10 |
Index 1 |
p. 169-178
10 p.
|
artikel
|
| 12 |
Ab initio calculations of S1 excited state vibrational spectra of benzene, naphthalene and anthracene
|
Jas, Gouri S.
|
|
1997
|
1-10 |
Index 1 |
p. 229-241
13 p.
|
artikel
|
| 13 |
Ab initio calculations of stretching vibrational transitions for the linear molecules HCN, HNC, HCCF and HC3N up to high overtones
|
Botschwina, P.
|
|
1995
|
1-10 |
Index 1 |
p. 345-362
18 p.
|
artikel
|
| 14 |
Ab initio calculations of the electronic states of KRb
|
Park, Su Jin
|
|
2000
|
1-10 |
Index 1 |
p. 135-145
11 p.
|
artikel
|
| 15 |
Ab initio calculations of the rovibrational states of He2N2+
|
Hughes, Jason M.
|
|
1996
|
1-10 |
Index 1 |
p. 135-145
11 p.
|
artikel
|
| 16 |
Ab initio calculations of zero-field splitting parameters
|
Vahtras, O.
|
|
2002
|
1-10 |
Index 1 |
p. 133-142
10 p.
|
artikel
|
| 17 |
Ab initio calculations on the structure of the benzene dimer
|
Čársky, P.
|
|
1988
|
1-10 |
Index 1 |
p. 165-170
|
artikel
|
| 18 |
Ab initio CI calculation of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X 1Σ+ state of CH+
|
Fišer, J.
|
|
1993
|
1-10 |
Index 1 |
p. 319-324
6 p.
|
artikel
|
| 19 |
Ab initio CI calculations of electronic and vibrational spectra of ZnCH3
|
Jamorski, Christine
|
|
1992
|
1-10 |
Index 1 |
p. 191-196
6 p.
|
artikel
|
| 20 |
Ab-initio CI calculations of the C1s and Cl1s and 2p core excitation spectra of the freon molecules: CCl4, CFCl3, CF2Cl2 and CF3Cl
|
Fronzoni, G.
|
|
1998
|
1-10 |
Index 1 |
p. 21-42
22 p.
|
artikel
|
| 21 |
Ab initio CI study of the electronic spectrum of acetone
|
Hess, Bernd
|
|
1976
|
1-10 |
Index 1 |
p. 267-280
14 p.
|
artikel
|
| 22 |
Ab initio CI study of the electronic spectrum of bismuth iodide employing relativistic effective core potentials
|
Alekseyev, Aleksey B.
|
|
1995
|
1-10 |
Index 1 |
p. 333-344
12 p.
|
artikel
|
| 23 |
Ab initio CI study of the electronic spectrum of the interstellar free radical CP
|
Gu, Jian-ping
|
|
1994
|
1-10 |
Index 1 |
p. 39-45
7 p.
|
artikel
|
| 24 |
Ab initio configuration interaction calculations for the electronic spectrum of hydrogen sulfide
|
Shih, Shing-kuo
|
|
1976
|
1-10 |
Index 1 |
p. 391-402
12 p.
|
artikel
|
| 25 |
Ab initio configuration interaction study on the energetics and electronic structure of the 1–52Σ+ and 1–32Π states of CS+
|
Honjou, Nobumitsu
|
|
2006
|
1-10 |
Index 1 |
p. 413-419
7 p.
|
artikel
|
| 26 |
Ab initio electronic and rovibrational structure of
MgH
2
2
+
|
Page, Alister J.
|
|
2008
|
1-10 |
Index 1 |
p. 37-45
9 p.
|
artikel
|
| 27 |
Ab initio evaluation of the five-photon ionization cross sections of nitric oxide
|
Cremaschi, Pietro
|
|
1981
|
1-10 |
Index 1 |
p. 85-93
9 p.
|
artikel
|
| 28 |
Ab initio generalized valence force field for zeolite modelling. 1. Siliceous zeolites
|
Ermoshin, Vladimir A.
|
|
1996
|
1-10 |
Index 1 |
p. 53-61
9 p.
|
artikel
|
| 29 |
Ab initio Hartree-Fock study of solid beryllium oxide: structure and electronic properties
|
Lichanot, Albert
|
|
1992
|
1-10 |
Index 1 |
p. 383-394
12 p.
|
artikel
|
| 30 |
Ab initio interpretation of sum frequency generation spectra of 4-cyanopyridine adsorbed on Au(111)
|
Tadjeddine, M
|
|
2001
|
1-10 |
Index 1 |
p. 27-46
20 p.
|
artikel
|
| 31 |
Ab initio investigation of O3 addition to double bonds of limonene
|
Jiang, Lei
|
|
2010
|
1-10 |
Index 1 |
p. 108-112
5 p.
|
artikel
|
| 32 |
Ab initio investigation of the HCO+ and COH+ molecule-ions: Structure and potential surfaces for dissociation in ground and excited states
|
Bruna, Pablo J.
|
|
1975
|
1-10 |
Index 1 |
p. 323-334
12 p.
|
artikel
|
| 33 |
Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5
|
Matar, S.F.
|
|
2005
|
1-10 |
Index 1 |
p. 231-238
8 p.
|
artikel
|
| 34 |
Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene
|
Ostojić, Bojana
|
|
2001
|
1-10 |
Index 1 |
p. 1-10
10 p.
|
artikel
|
| 35 |
Ab initio investigation on the nonlinear optical properties of Cd
n
Te
n
(n
=1–10) clusters
|
Seal, Prasenjit
|
|
2010
|
1-10 |
Index 1 |
p. 152-159
8 p.
|
artikel
|
| 36 |
Ab-initio investigations on the energetic, opto-electronic and magnetic characteristics of alkali metal (AM) atom substituted monatomic AlN layer
|
Shuai, Yong
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 37 |
Ab initio MO calculation of force constants and dipole derivatives for formamide
|
Sugawara, Yoko
|
|
1980
|
1-10 |
Index 1 |
p. 105-111
7 p.
|
artikel
|
| 38 |
Ab initio molecular calculations including spin-orbit coupling. II. Molecular test on the InH molecule and application to the g states of the Ar2
* excimer
|
Teichteil, C.
|
|
1983
|
1-10 |
Index 1 |
p. 283-296
14 p.
|
artikel
|
| 39 |
Ab initio molecular orbital study of ground and low-lying electronic states of NiCN
|
Hirano, Tsuneo
|
|
2008
|
1-10 |
Index 1 |
p. 13-22
10 p.
|
artikel
|
| 40 |
Ab initio molecular treatment for single and double electron capture in the He2+ + He(1s2) collision
|
Bacchus-Montabonel, M.C.
|
|
1991
|
1-10 |
Index 1 |
p. 319-324
6 p.
|
artikel
|
| 41 |
Ab initio molecular treatment for single and double electron capture in the He2+ + He (1s2) collision
|
Bacchus-Montabonel, M.C.
|
|
1991
|
1-10 |
Index 1 |
p. 467-
1 p.
|
artikel
|
| 42 |
Ab initio mo studies of the decomposition of energetic materials. I. Hydrogen transfer in tnt and in model systems
|
Cox, James R.
|
|
1988
|
1-10 |
Index 1 |
p. 39-46
8 p.
|
artikel
|
| 43 |
Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives
|
Broo, Anders
|
|
1996
|
1-10 |
Index 1 |
p. 147-161
15 p.
|
artikel
|
| 44 |
Ab initio MRD-CI study of GaAs-, GaAs2
(±), Ga2As2(±) and As4 clusters
|
Meier, U.
|
|
1991
|
1-10 |
Index 1 |
p. 331-351
21 p.
|
artikel
|
| 45 |
Ab initio pseudopotential study of YbH and YbF
|
Dolg, Michael
|
|
1992
|
1-10 |
Index 1 |
p. 21-30
10 p.
|
artikel
|
| 46 |
Ab initio SCF and CI study of the ground and first excited state of the HSO radical
|
Sannigrahi, A.B.
|
|
1977
|
1-10 |
Index 1 |
p. 25-33
9 p.
|
artikel
|
| 47 |
Ab initio SCF study of the vibrational spectra of nickel carbonyls Ni(CO)
n
, n = 1–4
|
Čársky, Petr
|
|
1986
|
1-10 |
Index 1 |
p. 265-275
11 p.
|
artikel
|
| 48 |
Ab initio studies on hydrogen-bonded clusters. I. Linear and cyclic oligomers of hydrogen cyanide
|
Kofranek, Manfred
|
|
1987
|
1-10 |
Index 1 |
p. 53-64
12 p.
|
artikel
|
| 49 |
Ab initio study of CaO. The importance of atomic correlation and a bondlength question
|
England, Walter B.
|
|
1980
|
1-10 |
Index 1 |
p. 1-21
21 p.
|
artikel
|
| 50 |
Ab initio study of core excited cyclopropane
|
Duflot, D.
|
|
2006
|
1-10 |
Index 1 |
p. 518-528
11 p.
|
artikel
|
| 51 |
Ab initio study of excited-state intramolecular proton dislocation in salicylic acid
|
Sobolewski, Andrzej L.
|
|
1998
|
1-10 |
Index 1 |
p. 257-265
9 p.
|
artikel
|
| 52 |
Ab initio study of Hg(1S0)⋯
H
2
(
1
Σ
g
+
)
van der Waals complex
|
Ilčin, Michal
|
|
2008
|
1-10 |
Index 1 |
p. 32-36
5 p.
|
artikel
|
| 53 |
Ab initio study of β-lactam antibiotics. I. Potential energy surface for the amidic CN bond breaking in the β-lactam + OH− reaction
|
Petrongolo, Carlo
|
|
1980
|
1-10 |
Index 1 |
p. 279-290
12 p.
|
artikel
|
| 54 |
Ab initio study of low-lying electronic states of the N+
3 ion
|
Cai, Z.-L.
|
|
1992
|
1-10 |
Index 1 |
p. 377-381
5 p.
|
artikel
|
| 55 |
Ab initio study of NO2. VII. Ã 2B2←X̃ 2A1 nonadiabatic Franck–Condon absorption spectrum
1
Dedicated to Professor Sigrid D. Peyerimhoff, on the occasion of her 60th birthday.
1
|
Brandi, Raffaella
|
|
1997
|
1-10 |
Index 1 |
p. 55-62
8 p.
|
artikel
|
| 56 |
Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide
|
Hwang, Der-Yan
|
|
2000
|
1-10 |
Index 1 |
p. 169-176
8 p.
|
artikel
|
| 57 |
Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters
|
Bonačić-Koutecký, V.
|
|
1996
|
1-10 |
Index 1 |
p. 313-341
29 p.
|
artikel
|
| 58 |
Ab initio study of the addition of atomic carbon with water
|
Hwang, Der-Yan
|
|
1999
|
1-10 |
Index 1 |
p. 143-149
7 p.
|
artikel
|
| 59 |
Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile
|
Sudholt, Wibke
|
|
1999
|
1-10 |
Index 1 |
p. 9-18
10 p.
|
artikel
|
| 60 |
Ab initio study of the ammoniated ammonium ions NH4
+(NH3)0–6
|
Wang, Bo-Cheng
|
|
2002
|
1-10 |
Index 1 |
p. 93-106
14 p.
|
artikel
|
| 61 |
Ab initio study of the change from η
5- to η
1-coordination in group 12 dimetallocenes MM′(C5H5)2 with M, M′=Zn, Cd, Hg
|
Philpott, Michael R.
|
|
2007
|
1-10 |
Index 1 |
p. 201-207
7 p.
|
artikel
|
| 62 |
Ab initio study of the electronic spectrum of C2H2
+.
|
Perić, M.
|
|
1998
|
1-10 |
Index 1 |
p. 33-46
14 p.
|
artikel
|
| 63 |
Ab initio study of the excited-state coupled electron–proton-transfer process in the 2-aminopyridine dimer
|
Sobolewski, Andrzej L.
|
|
2003
|
1-10 |
Index 1 |
p. 73-83
11 p.
|
artikel
|
| 64 |
Ab initio study of the F2(
X
1Σ
g
+
)–H(
2
S
) van der Waals complex
|
Lukeš, Vladimı́r
|
|
2000
|
1-10 |
Index 1 |
p. 157-165
9 p.
|
artikel
|
| 65 |
Ab initio study of the hydration complexes of HCO−
3
|
Jean, Yves
|
|
1980
|
1-10 |
Index 1 |
p. 95-103
9 p.
|
artikel
|
| 66 |
Ab initio study of the infrared absorption bands and their intensities for ethylene-halogen and amine-halogen complexes
|
Matsuzawa, Hidenori
|
|
1992
|
1-10 |
Index 1 |
p. 297-305
9 p.
|
artikel
|
| 67 |
Ab initio study of the internal rotation in peroxyformic acid
|
Petrongolo, Carlo
|
|
1977
|
1-10 |
Index 1 |
p. 243-249
7 p.
|
artikel
|
| 68 |
Ab initio study of the J(CC) indirect nuclear spin-spin coupling constants in cyclobutane and related systems
|
Galasso, V.
|
|
1987
|
1-10 |
Index 1 |
p. 415-420
6 p.
|
artikel
|
| 69 |
Ab initio study of the Li(
2
S)–H2(X
1Σ
g
+
) van der Waals complex
|
Lukeš, Vladimı́r
|
|
2001
|
1-10 |
Index 1 |
p. 1-8
8 p.
|
artikel
|
| 70 |
Ab initio study of the low-lying electronic states of the CaO molecule
|
Khalil, Hossain
|
|
2011
|
1-10 |
Index 1 |
p. 50-55
6 p.
|
artikel
|
| 71 |
Ab initio study of the nuclear spin—spin coupling constants and magnetic shielding constants in silicon derivatives via the equations-of-motion method
|
Fronzoni, G.
|
|
1986
|
1-10 |
Index 1 |
p. 29-33
5 p.
|
artikel
|
| 72 |
Ab initio study of the reaction mechanism of singlet and triplet N2O and their intersystem crossing
|
Hwang, Der-Yan
|
|
2000
|
1-10 |
Index 1 |
p. 89-97
9 p.
|
artikel
|
| 73 |
Ab initio study of the thermodynamic and kinetic stability of the ammonium radical
|
Cardy, H.
|
|
1983
|
1-10 |
Index 1 |
p. 287-299
13 p.
|
artikel
|
| 74 |
Ab initio study of the 2Πu electronic state of the AlH2 radical
|
Nestmann, Bernd
|
|
1984
|
1-10 |
Index 1 |
p. 257-264
8 p.
|
artikel
|
| 75 |
Ab initio study of the X 1∑ and A1Π states of the cyanate anion (NCO−)
|
Cai, Z.-L.
|
|
1993
|
1-10 |
Index 1 |
p. 33-36
4 p.
|
artikel
|
| 76 |
Ab initio study of Xe
n
I− (n
=1–6) clusters
|
Li, Xinying
|
|
2006
|
1-10 |
Index 1 |
p. 64-68
5 p.
|
artikel
|
| 77 |
Ab initio study on the electronic structure of the 4 2Σ+
and 5 2Σ+
excited states of CO+
|
Honjou, Nobumitsu
|
|
1996
|
1-10 |
Index 1 |
p. 363-370
8 p.
|
artikel
|
| 78 |
Ab initio study on the excited state proton transfer mediated photophysics of 3-hydroxy-picolinic acid
|
Rode, Michał F.
|
|
2012
|
1-10 |
Index 1 |
p. 41-48
8 p.
|
artikel
|
| 79 |
Ab initio treatment of the Renner-Teller effect in tetra-atomic molecules undergoing large amplitude bending vibrations
1
Dedicated to Prof. Dr. S.D. Peyerimhoff on the occasion of her sixtieth birthday.
1
|
Perić, M.
|
|
1997
|
1-10 |
Index 1 |
p. 63-76
14 p.
|
artikel
|
| 80 |
About the photoionization of methyl bromide (CH3Br). Photoelectron and photoionization mass spectrometric investigation
|
Locht, R.
|
|
2006
|
1-10 |
Index 1 |
p. 458-472
15 p.
|
artikel
|
| 81 |
About the photoionization of methyl chloride
|
Locht, R.
|
|
2001
|
1-10 |
Index 1 |
p. 293-313
21 p.
|
artikel
|
| 82 |
About the singular behavior of the ionic condensation of sodium chondroitin sulfate: Conductivity study in water and water–dioxane mixture
|
M’halla, Jalel
|
|
2006
|
1-10 |
Index 1 |
p. 10-24
15 p.
|
artikel
|
| 83 |
About the vacuum UV photoabsorption spectrum of methyl fluoride (CH3F): the fine structure and its vibrational analysis
|
Locht, R.
|
|
2000
|
1-10 |
Index 1 |
p. 283-299
17 p.
|
artikel
|
| 84 |
Absolute balmer line and NH(c 1Π→b 1Σ+, 0-0) vibrational band emission cross sections from NH3 molecules excited by electron impact
|
Kurepa, Jelena M.
|
|
1989
|
1-10 |
Index 1 |
p. 409-417
|
artikel
|
| 85 |
Absolute complex formation cross sections for alkali—alkali halide collisions: a Monte Carlo trajectory study
|
Holmlid, Leif
|
|
1976
|
1-10 |
Index 1 |
p. 403-412
10 p.
|
artikel
|
| 86 |
Absolute cross sections and quantum yields for chemiluminescent Al+(1S, 3P) + F2, Cl2 collisions
|
Kowalski, A.
|
|
1988
|
1-10 |
Index 1 |
p. 125-135
11 p.
|
artikel
|
| 87 |
Absolute cross sections for the near-resonant electronic energy transfer reactions between metastable Xe atoms and N2 molecules
|
Böhle, W.
|
|
1989
|
1-10 |
Index 1 |
p. 313-321
9 p.
|
artikel
|
| 88 |
Absolute optical oscillator strengths for discrete and continuum photoabsorption of carbon monoxide (7–200 eV) and transition moments for the X 1Σ+ → A 1Π system
|
Chan, W.F.
|
|
1993
|
1-10 |
Index 1 |
p. 123-138
16 p.
|
artikel
|
| 89 |
Absolute optical oscillator strengths for discrete and continuum photoabsorption of molecular nitrogen (11–200 eV)
|
Chan, W.F.
|
|
1993
|
1-10 |
Index 1 |
p. 81-97
17 p.
|
artikel
|
| 90 |
Absolute oscillator strenghts for the valence-shell photoabsorption (2–200 eV) and the molecular and dissociative photoionization (11–80 eV) of nitrogen dioxide
|
Au, Jennifer W.
|
|
1997
|
1-10 |
Index 1 |
p. 109-126
18 p.
|
artikel
|
| 91 |
Absolute oscillator strengths for hydrogen sulphide
|
Feng, Renfei
|
|
1999
|
1-10 |
Index 1 |
p. 223-236
14 p.
|
artikel
|
| 92 |
Absolute oscillator strengths for hydrogen sulphide:
|
Feng, Renfei
|
|
1999
|
1-10 |
Index 1 |
p. 127-142
16 p.
|
artikel
|
| 93 |
Absolute oscillator strengths for photoabsorption (6–360 eV) and ionic photofragmentation (10–80 eV) of methanol
|
Burton, Gordon R.
|
|
1992
|
1-10 |
Index 1 |
p. 349-367
|
artikel
|
| 94 |
Absolute oscillator strengths for the photoabsorption of silane in the valence and Si 2p and 2s regions (7.5–350 eV)
|
Cooper, Glyn
|
|
1995
|
1-10 |
Index 1 |
p. 293-306
14 p.
|
artikel
|
| 95 |
Absolute oscillator strengths for the photoabsorption, photoionization and ionic photofragmentation of silicon tetrafluoride. I. The valence shell
|
Guo, Xuezhe
|
|
1992
|
1-10 |
Index 1 |
p. 453-470
18 p.
|
artikel
|
| 96 |
Absolute oscillator strengths for the valence and inner (P 2p,2s) shell photoabsorption, photoionization, and ionic photofragmentation of PF3
|
Au, Jennifer W.
|
|
1997
|
1-10 |
Index 1 |
p. 135-149
15 p.
|
artikel
|
| 97 |
Absolute photoabsorption and photoionization of formaldehyde in the VUV and soft X-ray regions (3–200 eV)
|
Cooper, Glyn
|
|
1996
|
1-10 |
Index 1 |
p. 61-77
17 p.
|
artikel
|
| 98 |
Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES techniques
|
Olney, Terry N.
|
|
1997
|
1-10 |
Index 1 |
p. 127-149
23 p.
|
artikel
|
| 99 |
Absolute photoabsorption cross-sections (oscillator strengths) for ethanol (5–200 eV)
|
Feng, Renfei
|
|
2002
|
1-10 |
Index 1 |
p. 419-427
9 p.
|
artikel
|
| 100 |
Absolute photoabsorption (6–350 eV) and photoionization (11–80 eV) of methyl chloride using dipole electron scattering and synchrotron radiation spectroscopies
|
Olney, Terry N
|
|
1996
|
1-10 |
Index 1 |
p. 421-439
19 p.
|
artikel
|
| 101 |
Absolute photoabsorption of BrCN in the valence shell and the bromine M, carbon K and nitrogen K shell regions (5–450 eV)
|
Olney, Terry N.
|
|
1995
|
1-10 |
Index 1 |
p. 505-524
20 p.
|
artikel
|
| 102 |
Absolute photoabsorption oscillator strengths by electron energy loss methods: the valence and S 2p and 2s inner shells of sulphur dioxide in the discrete and continuum regions (3.5–260 eV)
|
Feng, Renfei
|
|
1999
|
1-10 |
Index 1 |
p. 371-386
16 p.
|
artikel
|
| 103 |
Absolute rate constants of R + NO (+ M) → RNO(+ M) reactions (R = C3F7, CF3, CH3) at T = 295 K measured by time-resolved intracavity absorption of He-Ne laser radiation
|
Vakhtin, A.B.
|
|
1991
|
1-10 |
Index 1 |
p. 427-436
10 p.
|
artikel
|
| 104 |
Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules
|
Olney, Terry N.
|
|
1997
|
1-10 |
Index 1 |
p. 59-98
40 p.
|
artikel
|
| 105 |
Absolute UV and Soft X-ray photoabsorption of ethylene by high resolution dipole (e, e) spectroscopy
|
Cooper, Glyn
|
|
1995
|
1-10 |
Index 1 |
p. 175-184
10 p.
|
artikel
|
| 106 |
Absolute yields of I(2P
1
2
) in I2 photodissociation using a laser optoacoustic technique
|
Hunter, Tom F.
|
|
1987
|
1-10 |
Index 1 |
p. 145-153
9 p.
|
artikel
|
| 107 |
Absorption and emission behaviour of trans-p-coumaric acid in aqueous solutions and some organic solvents
|
Putschögl, M.
|
|
2008
|
1-10 |
Index 1 |
p. 107-120
14 p.
|
artikel
|
| 108 |
Absorption and emission spectra of C6F5X+
(X = H, F, Cl, Br, and I) radical cation in perfluorohexane matrix
|
Oomori, T.
|
|
1993
|
1-10 |
Index 1 |
p. 477-481
5 p.
|
artikel
|
| 109 |
Absorption and emission spectra of the lowest triplet state in hexachloroacetone
|
Koyanagi, Motohiko
|
|
1974
|
1-10 |
Index 1 |
p. 107-118
12 p.
|
artikel
|
| 110 |
Absorption and emission spectroscopic characterisation of 8-amino-riboflavin
|
Tyagi, A.
|
|
2009
|
1-10 |
Index 1 |
p. 19-30
12 p.
|
artikel
|
| 111 |
Absorption and emission spectroscopic characterisation of a pyrene-flavin dyad
|
Shirdel, J.
|
|
2007
|
1-10 |
Index 1 |
p. 427-437
11 p.
|
artikel
|
| 112 |
Absorption and emission spectroscopic characterization of 10-phenyl-isoalloxazine derivatives
|
Shirdel, J.
|
|
2006
|
1-10 |
Index 1 |
p. 489-499
11 p.
|
artikel
|
| 113 |
Absorption and emission spectroscopic characterization of some azo dyes and a diamino-maleonitrile dye
|
Susdorf, T.
|
|
2007
|
1-10 |
Index 1 |
p. 49-56
8 p.
|
artikel
|
| 114 |
Absorption and magnetic circular dichroism (MCD) studies of 1,4,5,8-naphthalenetetracarboxy diimides in terms of CASSCF method and FC theory
|
Sterzel, Mariusz
|
|
2004
|
1-10 |
Index 1 |
p. 93-105
13 p.
|
artikel
|
| 115 |
Absorption and magnetic circular dichroism spectra of the compressed copper (II) ion in K2ZnF4
|
Riley, Mark J.
|
|
1990
|
1-10 |
Index 1 |
p. 363-373
11 p.
|
artikel
|
| 116 |
Absorption in regio-regular poly(3-hexyl)thiophene thin films: Fermi resonances, interband coupling and disorder
|
Spano, Frank C.
|
|
2006
|
1-10 |
Index 1 |
p. 22-35
14 p.
|
artikel
|
| 117 |
Absorption, phosphorescence and ODMR studies of 1-phenyl-1-boracyclohexane
|
Bräuchle, Chr.
|
|
1980
|
1-10 |
Index 1 |
p. 373-381
|
artikel
|
| 118 |
Absorption, resonance Raman and Raman excitation spectra of lanthanum dimers in argon matrices
|
Liu, Yifei
|
|
2000
|
1-10 |
Index 1 |
p. 25-29
5 p.
|
artikel
|
| 119 |
Absorption spectra for a model double resonance system involving continuum: Effects of gaussian distribution of levels
|
Ferretti, A.
|
|
1985
|
1-10 |
Index 1 |
p. 421-429
9 p.
|
artikel
|
| 120 |
Absorption spectroscopy of charged excitations in α-sexithiophene: evidence for charge conjugation symmetry breaking
|
Lane, P.A.
|
|
1996
|
1-10 |
Index 1 |
p. 229-234
6 p.
|
artikel
|
| 121 |
Absorption spectrum of bismuth in the vacuum ultraviolet. Observation of new transitions to Rydberg states
|
Damany, Nicole
|
|
1981
|
1-10 |
Index 1 |
p. 157-163
7 p.
|
artikel
|
| 122 |
Absorption spectrum of deuterated hydrazoic acid, D14N3 in the microwave and millimeterwave regiont
|
Bendtsen, Jørgen
|
|
|
1-10 |
Index 1 |
p. 359-365
|
artikel
|
| 123 |
A CAS SCF CI study of the 1Σ+
g and 3IIu states of the C2 molecule and the 4Σ−
g and 2IIu states of the C+
2 ion
|
Kraemer, Wolfgang P.
|
|
1987
|
1-10 |
Index 1 |
p. 345-355
11 p.
|
artikel
|
| 124 |
A CASSCF/icMRCI study of the electric field gradient in low-lying electronic states of N2
+/N2
|
Polák, R
|
|
2003
|
1-10 |
Index 1 |
p. 177-188
12 p.
|
artikel
|
| 125 |
Accessibility of the lowest quintet state of organic molecules through triplet-triplet annihilation; an indo ci study
|
Dick, Bernhard
|
|
1983
|
1-10 |
Index 1 |
p. 1-16
16 p.
|
artikel
|
| 126 |
Accessing a low-lying bound electronic state of the alkali oxides, LiO and NaO, using laser induced fluorescence
|
Pugh, J.V.
|
|
1996
|
1-10 |
Index 1 |
p. 129-138
10 p.
|
artikel
|
| 127 |
A CCSD(T) and ccCA study of mixed silicon hydrides and halides: Structures and thermochemistry
|
Prascher, Brian P.
|
|
2009
|
1-10 |
Index 1 |
p. 1-13
13 p.
|
artikel
|
| 128 |
Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning
|
Meek, Garrett A.
|
|
2015
|
1-10 |
Index 1 |
p. 117-124
8 p.
|
artikel
|
| 129 |
Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases
|
Pulfer, Mark
|
|
1997
|
1-10 |
Index 1 |
p. 91-98
8 p.
|
artikel
|
| 130 |
Accurate potential energy curves for the X 1Σ+ and A1Σ+ states of NaH
|
Pardo, A.
|
|
1988
|
1-10 |
Index 1 |
p. 41-53
13 p.
|
artikel
|
| 131 |
Accurate potential energy surfaces for the excited state of CF2 molecule
|
Yin, Ruilin
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 132 |
Accurate potential surfaces for the first three lowest states of reaction O(3P) + C2(
a
3
Π
u
)
→
CO(
X
1
Σ
) + C(1D)
|
Wang, Dequan
|
|
2019
|
1-10 |
Index 1 |
p. 228-236
|
artikel
|
| 133 |
Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method
|
Jorge, F.E.
|
|
1997
|
1-10 |
Index 1 |
p. 317-321
5 p.
|
artikel
|
| 134 |
Achieving the laboratory control of quantum dynamics phenomena using nonlinear functional maps
|
Geremia, JM
|
|
2001
|
1-10 |
Index 1 |
p. 209-222
14 p.
|
artikel
|
| 135 |
A classical approach to resonant low-energy electron scattering off molecules: application to the a
1-shape resonance of CF3CL
|
Lehr, Lucia
|
|
1997
|
1-10 |
Index 1 |
p. 301-312
12 p.
|
artikel
|
| 136 |
A classical trajectory study of the fate of vibrational energy released in HF
|
Poulsen, Lise Lotte
|
|
1980
|
1-10 |
Index 1 |
p. 389-401
|
artikel
|
| 137 |
A combination of pseudopotentials and density functionals: Results for Li
n
um+ and K
n
m+ clusters (n ≤ 4; m = 0, 1)
|
Flad, J.
|
|
1983
|
1-10 |
Index 1 |
p. 331-345
15 p.
|
artikel
|
| 138 |
A combined time-resolved infrared and density functional theory study of the lowest excited states of 9-fluorenone and 2-naphthaldehyde
|
Hanson-Heine, Magnus W.D.
|
|
|
1-10 |
Index 1 |
p. 44-52
|
artikel
|
| 139 |
A comparative picosecond spectroscopic study of the competitive triple fluorescence of aminosalicylates and benzanilides
|
Heldt, Jozef
|
|
1989
|
1-10 |
Index 1 |
p. 321-334
14 p.
|
artikel
|
| 140 |
A comparison between nitroxide and hydrazyl free radicals in selective alcohols oxidation
|
Shakir, Ahmed J.
|
|
2017
|
1-10 |
Index 1 |
p. 7-11
5 p.
|
artikel
|
| 141 |
A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine
|
Jalkanen, K.J
|
|
2001
|
1-10 |
Index 1 |
p. 125-151
27 p.
|
artikel
|
| 142 |
A comparison of rate constants for vibrational relaxation in liquid argon and in the gas phase at the same temperature
|
Buckingham, Mark R.
|
|
1985
|
1-10 |
Index 1 |
p. 179-195
17 p.
|
artikel
|
| 143 |
A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations
|
Thunemann, Karl-Heinz
|
|
1978
|
1-10 |
Index 1 |
p. 35-40
6 p.
|
artikel
|
| 144 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
|
Roos, Björn O.
|
|
1980
|
1-10 |
Index 1 |
p. 157-173
|
artikel
|
| 145 |
A complete decoupling of Faddeev-like equations for three arrangement systems; applications to HH2 collision
|
Knapp, E.W.
|
|
1976
|
1-10 |
Index 1 |
p. 363-368
6 p.
|
artikel
|
| 146 |
A comprehensive studies on photophysical and electrochemical properties of novel D-π-A thiophene substituted 1,3,4-oxadiazole derivatives for optoelectronic applications: A computational and experimental approach
|
Thippeswamy, M.S.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 147 |
A Computational approach toward organometallic ruthenium(II) compounds with tunable hydrolytic properties
|
Kuznetsov, Aleksey E.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 148 |
A computational investigation of the effects of changes of donor–acceptor linker length and acceptor on electronic spectra of small-molecule single-component organic solar cells
|
Liu, Kaikai
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 149 |
A computational investigation on Ge
n
Cl− and Ge
n
Cl (n
=1–6) clusters by density functional methods
|
Han, Ju-Guang
|
|
2004
|
1-10 |
Index 1 |
p. 253-258
6 p.
|
artikel
|
| 150 |
A computationally simple theory of multiple photon excitation of polyatomic molecules: Dependence of the energy distribution on molecular properties
|
Kuzmin, M.V.
|
|
1983
|
1-10 |
Index 1 |
p. 199-210
12 p.
|
artikel
|
| 151 |
A computational prediction of a novel quasi hexagonal Al2SSi semiconductor monolayer
|
Shirnezhad, Tahereh
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 152 |
A computational study on the mechanical properties of Pentahexoctite single-layer: Combining DFT and classical molecular dynamics simulations
|
Brandão, W.H.S.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 153 |
A conformational study of bicyclo[3.1.0] hexane and of the 3-bicyclo[3.1.0]hexyl carbonium ion: an AB initio SCF investigation
|
Mjöberg, P.J.
|
|
1978
|
1-10 |
Index 1 |
p. 201-208
8 p.
|
artikel
|
| 154 |
A contribution to non-equilibrium chemical kinetics. III. Some high-energy strongly non-equilibrium processes in solids and liquids
|
Temkin, A.Ya.
|
|
1989
|
1-10 |
Index 1 |
p. 221-237
17 p.
|
artikel
|
| 155 |
A correlation between Kekulē valence structures and conjugated circuits
|
Gutman, Ivan
|
|
1979
|
1-10 |
Index 1 |
p. 265-270
6 p.
|
artikel
|
| 156 |
A Coumarin-Julolidine conjugated novel Schiff base: synthesis, DFT insights, and evaluation of selective and sensitive dual-responsive fluorescence sensing capabilities with Cu+ and Cu2+ ions
|
Niranjan, Raghvendra
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 157 |
A crossed-beam study of low energy Ar+ + H2O collisions: Charge transfer and chemical reaction
|
Glosík, J.
|
|
1981
|
1-10 |
Index 1 |
p. 369-378
10 p.
|
artikel
|
| 158 |
A crossed-beam study of the reactive and unreactive scattering of Ar+(2P
3
2
) and Ar+(2P
1
2
) by N2 at low energies
|
Birkinshaw, Keith
|
|
1987
|
1-10 |
Index 1 |
p. 149-158
10 p.
|
artikel
|
| 159 |
A crossed molecular beams investigation of the reactions of atomic silicon (Si(3P)) with C4H6 isomers (1,3-butadiene, 1,2-butadiene, and 1-butyne)
|
Thomas, Aaron M.
|
|
2019
|
1-10 |
Index 1 |
p. 70-80
|
artikel
|
| 160 |
A crossed molecular beams study on the formation and energetics of the resonantly stabilized free i-C4H3(X2A′) radical and its isotopomers
|
Gu, Xibin
|
|
2007
|
1-10 |
Index 1 |
p. 95-108
14 p.
|
artikel
|
| 161 |
A cryosolution FTIR and ab initio study of the blue shifting C–H···F hydrogen bonded complexes F2ClCH·FCD3 and Cl2FCH·FCD3
|
Rutkowski, Konstantin S.
|
|
2008
|
1-10 |
Index 1 |
p. 71-79
9 p.
|
artikel
|
| 162 |
A crystal orbital investigation on the one-dimensional bis(glyoximato)pyrazine—iron system
|
Böhm, Michael C.
|
|
1983
|
1-10 |
Index 1 |
p. 1-14
14 p.
|
artikel
|
| 163 |
Active nitrogen and oxygen: Enhanced emissions and chemical reactions
|
Kamaratos, Efstathios
|
|
2006
|
1-10 |
Index 1 |
p. 271-294
24 p.
|
artikel
|
| 164 |
A dark, excited electronic state of thiophosgene in the near ultraviolet
|
Maciejewski, A.
|
|
1992
|
1-10 |
Index 1 |
p. 101-112
12 p.
|
artikel
|
| 165 |
Addendum to superfine and hyperfine structures in the ν3 band of 32SF6: Evidence for a tensor spin-vibration interaction in spherical tops
|
Bordé, Jacques
|
|
1984
|
1-10 |
Index 1 |
p. 159-165
7 p.
|
artikel
|
| 166 |
A density functional approach of prototropic tautomerism of guanine
|
Tian, Shan Xi
|
|
2001
|
1-10 |
Index 1 |
p. 187-196
10 p.
|
artikel
|
| 167 |
A density functional study of bare and hydrogenated platinum clusters
|
Sebetci, Ali
|
|
2006
|
1-10 |
Index 1 |
p. 9-18
10 p.
|
artikel
|
| 168 |
A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au
n
C (n
=1–9) clusters
|
Hou, Xiao-Fei
|
|
2016
|
1-10 |
Index 1 |
p. 50-60
11 p.
|
artikel
|
| 169 |
A density-matrix model of photosynthetic electron transfer with microscopically estimated vibrational relaxation times
|
Parson, William W.
|
|
2004
|
1-10 |
Index 1 |
p. 201-216
16 p.
|
artikel
|
| 170 |
A DFT study of electronic structures of thiophene-based organosilicon compounds
|
Ding, Yun-qiao
|
|
2010
|
1-10 |
Index 1 |
p. 167-174
8 p.
|
artikel
|
| 171 |
Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr
|
Krylov, A.I.
|
|
1994
|
1-10 |
Index 1 |
p. 261-272
12 p.
|
artikel
|
| 172 |
Adiabatic compressibility of critical binary mixtures of nitroethane/isooctane and nitroethane/3-methylpentane
|
Tanaka, Hajime
|
|
1983
|
1-10 |
Index 1 |
p. 143-149
7 p.
|
artikel
|
| 173 |
Adiabatic versus diabatic approach to multichannel Coulomb scattering for mutual neutralisation reaction
H
+
+
H
-
→
H
2
∗
→
H
(
1
)
+
H
(
n
)
|
Volkov, M.V.
|
|
2015
|
1-10 |
Index 1 |
p. 57-64
8 p.
|
artikel
|
| 174 |
A discussion of the bonding in ferrocene from an ab initio LCAO MO SCF calculation
|
Rohmer, M.M.
|
|
1975
|
1-10 |
Index 1 |
p. 349-355
7 p.
|
artikel
|
| 175 |
Adjacent keto and enol groups in photochemistry of a cyclic molecule: Products, mechanisms and dynamics
|
Shemesh, Dorit
|
|
2018
|
1-10 |
Index 1 |
p. 177-186
|
artikel
|
| 176 |
Adsorption and decomposition of
H
2
S
on
C
2
N
sheet with embedded manganese atom: First-principles calculations
|
Zuntu Abdullahi, Yusuf
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 177 |
Adsorption and decomposition properties of HMX on MgH2(1 1 0) surface: A first Principles study
|
Zhang, Yang
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 178 |
Adsorption and sensing performances of Rh-embedded PtSe2 monolayer upon CO and HCHO in dry-type reactors: A first-principles study
|
Zhao, Qi
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 179 |
Adsorption behaviors of CO, H2O, CH4, H2S, H2 and NH3 gases on Cu-doped MoO3 monolayer: A first-principles study
|
Wang, Yuchen
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 180 |
Adsorption of Benzene-1,4-diol, 3-Methyl-1,2-cyclopentanedione and 2,6-Dimethoxyphenol on aluminium (111) plane using density functional theory calculations
|
Mohamad Sidik, Mohamad Sabri
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 181 |
Adsorption of CO2 on mechanochemically synthesized silicon oxycarbide composites
|
Grishin, Ilia
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 182 |
Adsorption of ethane and ethene in Na–Y studied by inelastic neutron scattering and computation
|
Henson, N.J
|
|
2000
|
1-10 |
Index 1 |
p. 111-124
14 p.
|
artikel
|
| 183 |
Adsorption of lithium ions from liquid resources by dual surfactant rod mesoporous composite lithium-ion sieve PVB-HTO-1
|
Lin, Mengyu
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 184 |
Adsorption of molecules on polymers. I. A general analysis in terms of the green matrix version of the local-impurity SCF approach
|
Del Re, G.
|
|
1980
|
1-10 |
Index 1 |
p. 321-332
12 p.
|
artikel
|
| 185 |
Adsorption of ɳ2 (O, C)-tilted formaldehyde geometry on transition metal substituted p(2 × 1) SnO2 (110) surface: A first-principles analysis
|
Gulshanah, Shaheen
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 186 |
Advanced hydrogen adsorption on benzene: Cation-π interaction effects
|
Petrushenko, I.K.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 187 |
A flexible transition state searching method for atmospheric reaction systems
|
Lin, Xiao-Xiao
|
|
|
1-10 |
Index 1 |
p. 21-31
|
artikel
|
| 188 |
A fluorescence polarisation study of the CS2
+
A
̃
2
Π
u
→
X
̃
2
Π
g
and the
B
̃
2
Σ
u
+→
X
̃
2
Π
g
transitions
|
Shaw, D.A
|
|
2003
|
1-10 |
Index 1 |
p. 239-251
13 p.
|
artikel
|
| 189 |
A 19F NMR study of C–I⋯π halogen bonding
|
Hauchecorne, D.
|
|
2011
|
1-10 |
Index 1 |
p. 5-10
6 p.
|
artikel
|
| 190 |
A four-dimensional Numerov approach and its application to the vibrational eigenstates of linear triatomic molecules – The interplay between anharmonicity and inter-mode coupling
|
Kuenzer, Ulrich
|
|
2019
|
1-10 |
Index 1 |
p. 88-99
|
artikel
|
| 191 |
A free-jet infrared double resonance study of the threshold region of IVR. The ν6, ν1 + ν6, and 2ν1 bands of propyne
|
Go, Jungsug
|
|
1993
|
1-10 |
Index 1 |
p. 127-145
19 p.
|
artikel
|
| 192 |
A full dimensional direct ab initio dynamics study of the electron capture by SF6
|
Tachikawa, Hiroto
|
|
2001
|
1-10 |
Index 1 |
p. 81-89
9 p.
|
artikel
|
| 193 |
Age distributions in chemical kinetics
|
Vlad, Marcel O.
|
|
1987
|
1-10 |
Index 1 |
p. 307-318
12 p.
|
artikel
|
| 194 |
A generalized langevin equation for wave functions. Intramolecular vibrational dephasing as a stochastic process
|
Someda, Kiyohiko
|
|
1994
|
1-10 |
Index 1 |
p. 187-212
26 p.
|
artikel
|
| 195 |
A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters
|
Talukder, Srijeeta
|
|
2014
|
1-10 |
Index 1 |
p. 5-14
10 p.
|
artikel
|
| 196 |
A GGA + vdW study on electronic properties and optoelectronic functionality of Cd-doped tetragonal CH3NH3PbI3 for photovoltaics
|
Han, Xiaoping
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 197 |
A global picture of the S1/S0 conical intersection seam of benzene
|
Li, Quansong
|
|
2010
|
1-10 |
Index 1 |
p. 60-65
6 p.
|
artikel
|
| 198 |
A gradient-corrected density functional and MP2 study of phenol–ammonia and phenol–ammonia(+) hydrogen-bonded complexes
|
Pejov, Ljupčo
|
|
2002
|
1-10 |
Index 1 |
p. 177-193
17 p.
|
artikel
|
| 199 |
A He(I) photoelectron spectroscopic study of the
X
̃
2
A″
2
state of NH3
+ and
ND
3
+
.
|
Locht, R.
|
|
1998
|
1-10 |
Index 1 |
p. 145-158
14 p.
|
artikel
|
| 200 |
A high pressure rate constant for CH 3 + H and an analysis of the kinetics of the CH 3 + H → CH 4 reaction
|
Patrick, Roger
|
|
1980
|
1-10 |
Index 1 |
p. 279-291
|
artikel
|
| 201 |
AIM study on the influence of fluorine atoms on the alkyl chain
|
Quiñónez, Patricia B.
|
|
2003
|
1-10 |
Index 1 |
p. 227-236
10 p.
|
artikel
|
| 202 |
A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates
|
Queralt, Joaquim J
|
|
2002
|
1-10 |
Index 1 |
p. 1-14
14 p.
|
artikel
|
| 203 |
A Keilson–Storer type collision kernel for rotation–translation coupling
|
Gelin, M.F.
|
|
1999
|
1-10 |
Index 1 |
p. 265-273
9 p.
|
artikel
|
| 204 |
A kinetic analysis of the primary charge separation in bacterial photosynthesis. Energy gaps and static heterogeneity
|
Bixon, M.
|
|
1995
|
1-10 |
Index 1 |
p. 389-404
16 p.
|
artikel
|
| 205 |
Alanine chiral discrimination by interaction with amorphous cellulose
|
Alvira, E.
|
|
1990
|
1-10 |
Index 1 |
p. 395-403
9 p.
|
artikel
|
| 206 |
Algebraic approach to the potential energy surface for the electronic ground state of ozone
|
Zheng, Yujun
|
|
2000
|
1-10 |
Index 1 |
p. 217-221
5 p.
|
artikel
|
| 207 |
All-optical poling and second harmonic generation diagnostic of layer-by-layer assembled photoactive polyelectrolytes
|
Aldea-Nunzi, G.
|
|
2013
|
1-10 |
Index 1 |
p. 7-14
8 p.
|
artikel
|
| 208 |
Alloying effect on K X-ray intensity ratios, K X-ray production cross-sections and radiative Auger ratios in superalloys constitute from Al, Ni and Mo elements
|
Aylikci, N. Kup
|
|
2010
|
1-10 |
Index 1 |
p. 100-108
9 p.
|
artikel
|
| 209 |
All-valence-electron Cl calculations on the electronic spectrum of diborane
|
Elbert, S.T.
|
|
1975
|
1-10 |
Index 1 |
p. 25-40
16 p.
|
artikel
|
| 210 |
All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene
|
Buenker, Robert J.
|
|
1975
|
1-10 |
Index 1 |
p. 75-89
15 p.
|
artikel
|
| 211 |
Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study
|
Pullumbi, P.
|
|
1994
|
1-10 |
Index 1 |
p. 25-37
13 p.
|
artikel
|
| 212 |
A mathematical model for time-resolved radiofrequency-induced optical nuclear polarization
|
Rowat, J.
|
|
1989
|
1-10 |
Index 1 |
p. 65-75
11 p.
|
artikel
|
| 213 |
A matrix-isolation study of the water-d
1 iodine atom complex and the equilibrium between its hydrogen-bonded and deuterium-bonded forms
|
Engdahl, Anders
|
|
1985
|
1-10 |
Index 1 |
p. 273-280
8 p.
|
artikel
|
| 214 |
A maximum entropy principle approach to a joint probability model for sequences with known neighbor and next neighbor pair probabilities
|
Lou, Hongfeng
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 215 |
A method to obtain meV-collision-energy resolution in scattering studies: application to the H+D2
→HD(ν′=0,
j′)+D(θ
rel<80°) reaction at E
rel=1.275±0.011 eV
|
Kennedy, Sharon
|
|
1999
|
1-10 |
Index 1 |
p. 449-460
12 p.
|
artikel
|
| 216 |
A mid infrared study of dynamic processes in iodine–pyridine charge transfer complexes
|
Tassaing, T.
|
|
1998
|
1-10 |
Index 1 |
p. 71-82
12 p.
|
artikel
|
| 217 |
Amino acids assisted growth of methylammonium lead iodide cuboidal crystals for solar cell applications
|
Ojha, Saurav K.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 218 |
Amino derivatives of symmetric 1,3,5-triphenylbenzene. Nature of the polar singlet excited state.
|
Verbeek, G.
|
|
1993
|
1-10 |
Index 1 |
p. 195-213
19 p.
|
artikel
|
| 219 |
A model description of charge carrier transport phenomena in organic molecular crystals. I. Polyacene crystals
|
Silinsh, E.A.
|
|
1989
|
1-10 |
Index 1 |
p. 347-363
17 p.
|
artikel
|
| 220 |
A model for electrochemical proton-transfer reactions
|
Pecina, O
|
|
1998
|
1-10 |
Index 1 |
p. 265-277
13 p.
|
artikel
|
| 221 |
A model for prestabilized electron relaxation
|
Bartczak, W.M.
|
|
1979
|
1-10 |
Index 1 |
p. 251-259
9 p.
|
artikel
|
| 222 |
A Modified statistical theory of collisional energy transfer in thermal reactions
|
Bhattacharjee, Rakhal C.
|
|
1978
|
1-10 |
Index 1 |
p. 217-241
25 p.
|
artikel
|
| 223 |
A molecular electron density theory study of the chemo- and regioselective [3 + 2] cycloaddition reactions between trifluoroacetonitrile N-oxide and thioketones
|
Emamian, Saeedreza
|
|
2018
|
1-10 |
Index 1 |
p. 128-137
|
artikel
|
| 224 |
A molecular orbital study of pyridine and the rotation about the CC bond in 4-vinylpyridine
|
Bock, Charles W.
|
|
1986
|
1-10 |
Index 1 |
p. 107-116
10 p.
|
artikel
|
| 225 |
A multi-coincidence study of the double, triple photoionization and fragmentation of the SiF4 molecule around the Si 2p edge
|
Santos, A.C.F.
|
|
2002
|
1-10 |
Index 1 |
p. 315-326
12 p.
|
artikel
|
| 226 |
An AB initio configuration interaction study of cis and trans ground-state hoco radical using localized orbitals: Structural analysis or correlation effects
|
McLean, A.D.
|
|
1985
|
1-10 |
Index 1 |
p. 25-41
17 p.
|
artikel
|
| 227 |
An ab initio investigation of the infrared and visible-UV spectra of BN+, and photoionization spectrum of BN
|
Mawhinney, Robert C.
|
|
1995
|
1-10 |
Index 1 |
p. 163-176
14 p.
|
artikel
|
| 228 |
An ab initio molecular orbital study of the electronic spectrum and dissociation features of Li2F
|
Cao, Zexing
|
|
1999
|
1-10 |
Index 1 |
p. 209-213
5 p.
|
artikel
|
| 229 |
An ab initio potential energy surface for the study of COH2 collision at thermal energies
|
Flower, D.R.
|
|
1979
|
1-10 |
Index 1 |
p. 355-362
8 p.
|
artikel
|
| 230 |
An ab initio quantum dynamical analysis of the vibronic structure of the
X
2
B
g
photoelectron spectral band of s-trans-
1
,
3
-butadiene
|
Nikoobakht, Behnam
|
|
2018
|
1-10 |
Index 1 |
p. 654-662
|
artikel
|
| 231 |
An ab initio study of relationships between bond lengths and the harmonic and anharmonic cross-coupling constants involving the double bonds in hetero-atom substituted conjugated dienes
|
Bock, Charles W.
|
|
1982
|
1-10 |
Index 1 |
p. 179-190
12 p.
|
artikel
|
| 232 |
An ab initio study on the four electronically lowest-lying states of CH2 using the state-averaged complete active space second-order configuration interaction method
|
Yamaguchi, Yukio
|
|
1997
|
1-10 |
Index 1 |
p. 23-31
9 p.
|
artikel
|
| 233 |
An ab initio study on the stability of isolated borata-alkene synthons
|
Cyraniak, Adrianna
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 234 |
An ab initio time-dependent Hartree–Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model
|
Champagne, Benoı̂t
|
|
1998
|
1-10 |
Index 1 |
p. 153-163
11 p.
|
artikel
|
| 235 |
An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system
|
Loisruangsin, A.
|
|
2008
|
1-10 |
Index 1 |
p. 1-12
12 p.
|
artikel
|
| 236 |
Analysis of anomalous vibrational and rotational distributions in the CN(B2Σ+) state produced in the reaction of Ar(3P0,2) metastables with BrCN
|
Yencha, Andrew J.
|
|
1980
|
1-10 |
Index 1 |
p. 343-352
10 p.
|
artikel
|
| 237 |
Analysis of a nonlinear optical response of CN− ions adsorbed on metal electrode: tentative interpretation by means of ab initio molecular calculations
|
Tadjeddine, M.
|
|
1999
|
1-10 |
Index 1 |
p. 39-50
12 p.
|
artikel
|
| 238 |
Analysis of guest—host and intra-guest transitions for hydronaphthyl radicals in naphthalene crystals
|
Nakagawa, Kazumichi
|
|
1976
|
1-10 |
Index 1 |
p. 461-472
12 p.
|
artikel
|
| 239 |
Analysis of kinetic models for the tunnel electron transfer reactions. Reaction kinetics for various radial and angular dependences of the tunneling probability
|
Doktorov, A.B.
|
|
1981
|
1-10 |
Index 1 |
p. 351-364
14 p.
|
artikel
|
| 240 |
Analysis of linear reaction systems with three linearly independent steps on the basis of the absorbance tetrahedron and the formal integration
|
Polster, J.
|
|
2001
|
1-10 |
Index 1 |
p. 69-81
13 p.
|
artikel
|
| 241 |
Analysis of mixed solvent effects on the properties of singlet oxygen (
1
Δ
g
)
|
Catalán, J
|
|
2004
|
1-10 |
Index 1 |
p. 33-39
7 p.
|
artikel
|
| 242 |
Analysis of quantum coherence in biology
|
Khmelinskii, Igor
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 243 |
Analysis of restricted rotation of the acetyl group in m- and p-nitroacetophenone anion radicals
|
Branca, M.
|
|
1983
|
1-10 |
Index 1 |
p. 253-262
10 p.
|
artikel
|
| 244 |
Analysis of the bound odd-parity spectrum of krypton by weakest bound electron potential model theory
|
Zheng, Neng Wu
|
|
2000
|
1-10 |
Index 1 |
p. 37-46
10 p.
|
artikel
|
| 245 |
Analysis of the chemiluminescence from electronically excited lead oxide generated in a flow tube reactor
|
Dorko, E.A.
|
|
1986
|
1-10 |
Index 1 |
p. 349-363
15 p.
|
artikel
|
| 246 |
Analysis of the D′2g-A′2u transition in the molecular iodine by laser-induced-fluorescence Fourier-transform spectrometry
|
Cerny, D.
|
|
1997
|
1-10 |
Index 1 |
p. 207-226
20 p.
|
artikel
|
| 247 |
Analysis of the Raman frequencies of a lattice mode in NH4Cl close to the tricritical and second order phase transitions
|
Yurtseven, H.
|
|
2006
|
1-10 |
Index 1 |
p. 574-578
5 p.
|
artikel
|
| 248 |
Analysis of the steric dependence of the CH3I + Rb reaction using a legendre expansion technique
|
Stolte, S.
|
|
1982
|
1-10 |
Index 1 |
p. 353-361
9 p.
|
artikel
|
| 249 |
Analysis of the structure and chemical bonding of C5H5ScB40: A density functional study
|
Pei, Ling
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 250 |
Analysis of torsional spectra of molecules with two internal C3v rotors. V.
|
Durig, J.R.
|
|
1977
|
1-10 |
Index 1 |
p. 401-409
9 p.
|
artikel
|
| 251 |
Analysis of vibronic intensities in the phosphorescence spectrum of dimethylbenzaldehydes in durene
|
Després, A.
|
|
1984
|
1-10 |
Index 1 |
p. 229-245
17 p.
|
artikel
|
| 252 |
Analytic representation of the ground state potential surfaces for CO−
2 and CO2. Implications for the O− + CO → CO*2 + e chemiluminescent reaction and other related processes
|
Hopper, Darrel G.
|
|
1980
|
1-10 |
Index 1 |
p. 85-94
10 p.
|
artikel
|
| 253 |
An analysis of some optically allowed and optically forbidden excitation processes leading to dissociation
|
van Sprang, H.A.
|
|
1979
|
1-10 |
Index 1 |
p. 277-284
8 p.
|
artikel
|
| 254 |
An analytically solvable reaction-diffusion model for chemical dynamics in solutions
|
Saravanan, Rajendran
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 255 |
An analytical representation of the H2 + CO potential
|
Poulsen, Lise Lotte
|
|
1982
|
1-10 |
Index 1 |
p. 29-40
12 p.
|
artikel
|
| 256 |
An application of the refined born approximation to the solution of coupled equations involved in electron-ion and electron-atom scattering problems
|
Staszewska, G.
|
|
1981
|
1-10 |
Index 1 |
p. 93-104
12 p.
|
artikel
|
| 257 |
An approach to the estimation of polyatomic vibrational radiative relaxation rates
|
Herbst, Eric
|
|
1982
|
1-10 |
Index 1 |
p. 185-195
11 p.
|
artikel
|
| 258 |
An efficient theoretical study on host–guest interactions of a fluoride chemosensor with F−, Cl− and Br−
|
Li, Zhe
|
|
2006
|
1-10 |
Index 1 |
p. 159-163
5 p.
|
artikel
|
| 259 |
An ESCA-study of solid 2,4-hexadiyne-1,6-diol bis(toluenesulfonate) and its constituents before and after polymerization
|
Knecht, J.
|
|
1978
|
1-10 |
Index 1 |
p. 179-183
5 p.
|
artikel
|
| 260 |
A neutron diffraction study of the crystal structures and magnetic studies of (NH3CH2CH2CH2NH3)MnCl4 and (NH3CH2CH2NH3)FeCl4: Layer structures with two-dimensional magnetic interactions
|
Willett, R.D.
|
|
1975
|
1-10 |
Index 1 |
p. 112-122
11 p.
|
artikel
|
| 261 |
A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques
|
Weber, J.K.R.
|
|
2013
|
1-10 |
Index 1 |
p. 89-92
4 p.
|
artikel
|
| 262 |
A new approach to intermolecular forces in non-bonding regions
|
Taylor, H.S.
|
|
1975
|
1-10 |
Index 1 |
p. 473-479
7 p.
|
artikel
|
| 263 |
A new drift-velocity formula for ions in lighter gases in an electric field
|
Ferrari, Leonardo
|
|
1994
|
1-10 |
Index 1 |
p. 319-336
18 p.
|
artikel
|
| 264 |
A new extended diffusion model for rotational motion of symmetric-top molecules in the liquid phase
|
Lascombe, J.
|
|
|
1-10 |
Index 1 |
p. 177-184
|
artikel
|
| 265 |
A new formalism for molecular dynamics in internal coordinates
|
Lee, Sang-Ho
|
|
2001
|
1-10 |
Index 1 |
p. 63-85
23 p.
|
artikel
|
| 266 |
A new global potential energy surface of CaH2 system constructed with neural network method and dynamics studies of the Ca(4s
2
1
S) + H2 reaction
|
Liu, Fenghua
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 267 |
A new indo-type procedure for conjugated non-rigid molecules. I. Ground-state conformations and barriers to internal rotation
|
Momicchioli, F.
|
|
1982
|
1-10 |
Index 1 |
p. 161-176
16 p.
|
artikel
|
| 268 |
A new INDO-type procedure for conjugated non-rogid molecules. II. Extension to electronic spectra and excited-state potential curves
|
Momicchioli, F.
|
|
1983
|
1-10 |
Index 1 |
p. 229-252
24 p.
|
artikel
|
| 269 |
A new insight into the sensing mechanism of thiazole-substituted pyrazoline fluorescent sensor for the detection of picric acid
|
Feng, Yu
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 270 |
A new look at the retention of orbital alignment in collisions involving atoms in 1P electronic states: Ca(4sSp 1P) + He
|
Pouilly, Brigitte
|
|
|
1-10 |
Index 1 |
p. 191-209
|
artikel
|
| 271 |
A new pulsed light source for lifetime studies and time resolved spectroscopy: the synchrotron radiation from an electron storage ring
|
Lopez-Delgado, Ricardo
|
|
1974
|
1-10 |
Index 1 |
p. 72-83
12 p.
|
artikel
|
| 272 |
A new technique of lithium isotope extraction and separation: Flotation complexation extraction
|
Wang, Zhanqin
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 273 |
An exactly solvable model of polymerization
|
Lushnikov, A.A.
|
|
2017
|
1-10 |
Index 1 |
p. 133-139
7 p.
|
artikel
|
| 274 |
An experimental and theoretical investigation of the valence double photoionisation of the ICl molecule
|
Edvardsson, D.
|
|
2007
|
1-10 |
Index 1 |
p. 249-254
6 p.
|
artikel
|
| 275 |
An experimental and theoretical study of electronic excitation and charge transfer processes in collisions between Cs(62
S
1/2
) atoms and
Na
+(1
S
0) ions in the 0.30–4.00 keV energy range
|
de Andrés, J.
|
|
2002
|
1-10 |
Index 1 |
p. 33-47
15 p.
|
artikel
|
| 276 |
An experimental and theoretical study of SF
q+ (q = 1−3) ions
|
Nagesha, K.
|
|
1991
|
1-10 |
Index 1 |
p. 125-134
10 p.
|
artikel
|
| 277 |
An experimental and theoretical study of the valence shell photoelectron spectra of 2-bromothiophene and 3-bromothiophene
|
Potts, A.W.
|
|
2001
|
1-10 |
Index 1 |
p. 337-356
20 p.
|
artikel
|
| 278 |
An experimental and theoretical study of the valence shell photoelectron spectra of thiophene, 2-chlorothiophene and 3-chlorothiophene
|
Trofimov, A.B
|
|
2001
|
1-10 |
Index 1 |
p. 167-193
27 p.
|
artikel
|
| 279 |
An experimental and theoretical study of the valence shell photoelectron spectrum of bromobenzene
|
Holland, D.M.P.
|
|
2000
|
1-10 |
Index 1 |
p. 257-278
22 p.
|
artikel
|
| 280 |
An experimental and theoretical study of the valence shell photoelectron spectrum of tetrafluoromethane
|
Holland, D.M.P.
|
|
2005
|
1-10 |
Index 1 |
p. 43-57
15 p.
|
artikel
|
| 281 |
An experimentally determined set of V-T and V-V rate constants involving the OH radical. Implications for atmospheric chemistry
|
Teitelbaum, H.
|
|
1988
|
1-10 |
Index 1 |
p. 79-87
9 p.
|
artikel
|
| 282 |
An experimental study of the valence shell photoelectron spectrum of the NO2 molecule
|
Baltzer, P.
|
|
1998
|
1-10 |
Index 1 |
p. 451-470
20 p.
|
artikel
|
| 283 |
An experimental test of the Bernstein—Levine theory of branching ratios
|
Perry, D.S.
|
|
1976
|
1-10 |
Index 1 |
p. 37-43
7 p.
|
artikel
|
| 284 |
An explanation for the influence of substituents on the radiationless deactivation of 9,10-substituted anthracenes
|
Jung, Ch.
|
|
1977
|
1-10 |
Index 1 |
p. 227-233
7 p.
|
artikel
|
| 285 |
An extrapolation scheme for spin–orbit configuration interaction energies applied to the ground and excited electronic states of thallium hydride
1
Dedicated to Professor S.D. Peyerimhoff on the occasion of her 60th birthday.
1
|
Rakowitz, Frank
|
|
1997
|
1-10 |
Index 1 |
p. 223-238
16 p.
|
artikel
|
| 286 |
An FSGO-CO study of the long-range effects on calculated conformational stability and on one-electron levels of polyethylene
|
Brédas, J.L.
|
|
1980
|
1-10 |
Index 1 |
p. 109-118
10 p.
|
artikel
|
| 287 |
Angle-resolved inner-shell excitation in N2 molecules by electron impact
|
Michelin, S.E.
|
|
2003
|
1-10 |
Index 1 |
p. 365-374
10 p.
|
artikel
|
| 288 |
Angle-resolved photoelectron spectroscopy of cyclopropane
|
Keller, P.R.
|
|
1985
|
1-10 |
Index 1 |
p. 317-321
5 p.
|
artikel
|
| 289 |
Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes
|
Keller, P.R.
|
|
1983
|
1-10 |
Index 1 |
p. 269-276
8 p.
|
artikel
|
| 290 |
Angle-resolved photoelectron study of the group VIB metal hexacarbonyls M(CO)6 (M=Cr, Mo, W) from 9 to 30 eV photon energy
|
Yates, B.W.
|
|
1990
|
1-10 |
Index 1 |
p. 431-436
6 p.
|
artikel
|
| 291 |
Angular dependence of UV photoemission spectra from clean Ru(001) and from adsorbed oxygen and CO
|
Fuggle, J.C.
|
|
1975
|
1-10 |
Index 1 |
p. 307-317
11 p.
|
artikel
|
| 292 |
Angular difference Doppler profiles of the excited hydrogen atom produced in eCH4 collisions and dissociation dynamics of methane
|
Ogawa, Teiichiro
|
|
1987
|
1-10 |
Index 1 |
p. 65-72
8 p.
|
artikel
|
| 293 |
Angular distribution of Photopredissociation fragments from CH31+
|
Tadjeddine, M.
|
|
1982
|
1-10 |
Index 1 |
p. 229-246
18 p.
|
artikel
|
| 294 |
Angular distribution of photo-predissociation fragments in the presence of a magnetic field
|
Beswick, J.A.
|
|
1979
|
1-10 |
Index 1 |
p. 191-199
9 p.
|
artikel
|
| 295 |
Angular distributions using the artificial channel method: Application to 4HeD+ infrared photodissociation
|
Atabek, O.
|
|
1985
|
1-10 |
Index 1 |
p. 263-271
9 p.
|
artikel
|
| 296 |
Angular momentum and rotational energy relaxation in N2-N2 collisions calculated from coherent and stimulated Raman spectroscopy data
|
Temkin, S.
|
|
1991
|
1-10 |
Index 1 |
p. 89-104
16 p.
|
artikel
|
| 297 |
Angular momentum polarization in molecular beams of I2 and Na2
|
Visser, A.G.
|
|
1977
|
1-10 |
Index 1 |
p. 391-408
18 p.
|
artikel
|
| 298 |
Angular variation of time-of-flight of neutral clusters released from Rydberg Matter: Primary and secondary Coulomb explosion processes
|
Åkesson, Haideh
|
|
2006
|
1-10 |
Index 1 |
p. 215-222
8 p.
|
artikel
|
| 299 |
Anharmonic calculation of bandwidths and frequency shifts in crystalline CO2
|
Procacci, Piero
|
|
1987
|
1-10 |
Index 1 |
p. 171-186
16 p.
|
artikel
|
| 300 |
Anharmonic effects on theoretical IR line shapes of H-bonds
|
Henri-Rousseau, Olivier
|
|
1999
|
1-10 |
Index 1 |
p. 249-265
17 p.
|
artikel
|
| 301 |
Anharmonic Franck–Condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyrimidine
|
Yang, Ling
|
|
2012
|
1-10 |
Index 1 |
p. 126-136
11 p.
|
artikel
|
| 302 |
Anharmonic interactions and Fermi resonance in crystals CS2
|
Cardini, Gianni
|
|
1987
|
1-10 |
Index 1 |
p. 341-353
13 p.
|
artikel
|
| 303 |
Anharmonicities of the v
OH…O and v
OD…O vibrations in formic acid crystals
|
Zelsmann, H.R.
|
|
1977
|
1-10 |
Index 1 |
p. 459-466
8 p.
|
artikel
|
| 304 |
Anharmonicity and hydrogen bonding
|
Perchard, J.P.
|
|
2001
|
1-10 |
Index 1 |
p. 221-234
14 p.
|
artikel
|
| 305 |
Anharmonicity and hydrogen bonding
|
Perchard, J.P.
|
|
2001
|
1-10 |
Index 1 |
p. 109-124
16 p.
|
artikel
|
| 306 |
Anharmonicity and hydrogen bonding. III. Analysis of the near infrared spectrum of water trapped in argon matrix
|
Perchard, J.P
|
|
2001
|
1-10 |
Index 1 |
p. 217-233
17 p.
|
artikel
|
| 307 |
Anharmonic vibration-vibration pumping in nitric oxide by resonant IR-laser irradiation
|
Dünnwald, H.
|
|
1985
|
1-10 |
Index 1 |
p. 195-213
19 p.
|
artikel
|
| 308 |
An improved calculation method on optical second-order susceptibilities of organic materials
|
Zhu, Xiao-Lei
|
|
2000
|
1-10 |
Index 1 |
p. 241-248
8 p.
|
artikel
|
| 309 |
An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He + CO (n
i
= 1, 2)
|
Markovíc, Nikola
|
|
1996
|
1-10 |
Index 1 |
p. 277-290
14 p.
|
artikel
|
| 310 |
An inelastic neutron scattering study of CsHCl2 and CsHClBr???
|
Howard, Joseph
|
|
1979
|
1-10 |
Index 1 |
p. 113-120
8 p.
|
artikel
|
| 311 |
An infrared study of lithium-ammonia and potassium-ammonia complexes trapped in solid argon
|
Loutellier, A.
|
|
1990
|
1-10 |
Index 1 |
p. 179-193
15 p.
|
artikel
|
| 312 |
An insight into interchain charge transfer through a photophysical study of purified conjugated nanoparticles system
|
Raghav, Anubhav
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 313 |
An investigation of the importance of many-centre effects in the diatomics-in-molecules approach
|
Polák, R.
|
|
1986
|
1-10 |
Index 1 |
p. 277-285
9 p.
|
artikel
|
| 314 |
An investigation of the two electron chemical bond calculating energy expectation values from density matrix partitionings. II. The heteronuclear case HeH+
|
Butscher, Werner
|
|
1978
|
1-10 |
Index 1 |
p. 41-51
11 p.
|
artikel
|
| 315 |
An investigation of the valence orbitals of water by high momentum resolution electron momentum spectroscopy
|
Bawagan, A.O.
|
|
1985
|
1-10 |
Index 1 |
p. 367-382
16 p.
|
artikel
|
| 316 |
An investigation on chemically and bio-reducing agent (Cucumis Sativus) derived Ni-doped ZnO nanoparticles for magnetic and photocatalytic applications
|
Kaur, Manmeet
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 317 |
Anisotropic double exchange in mixed-valence dimeric clusters of transition metal ions
|
Belinsky, Moisey I.
|
|
2005
|
1-10 |
Index 1 |
p. 27-42
16 p.
|
artikel
|
| 318 |
Anisotropic double exchange in orbitally degenerate mixed valence systems
|
Borras-Almenar, J.J.
|
|
2000
|
1-10 |
Index 1 |
p. 275-285
11 p.
|
artikel
|
| 319 |
Anisotropic exchange interactions in [LnFe] dinuclear systems: Magnetometry, dual mode X-band Electron Paramagnetic Resonance, and Mössbauer spectroscopic studies
|
Figuerola, Albert
|
|
2007
|
1-10 |
Index 1 |
p. 204-215
12 p.
|
artikel
|
| 320 |
Anisotropic exchange interactions in
[
Ln
3
+
–
Fe
LS
3
+
]
dinuclear systems (Ln3+
=Dy, Tm, Yb): Magnetometry and Dual Mode X-band Electron Paramagnetic Resonance spectroscopic study
|
Tangoulis, Vassilis
|
|
2007
|
1-10 |
Index 1 |
p. 293-301
9 p.
|
artikel
|
| 321 |
Anisotropic photoionisation and dissociation through inner valence states of the O2
+ and NO+ ions
|
Eland, J.H.D
|
|
1998
|
1-10 |
Index 1 |
p. 1-11
11 p.
|
artikel
|
| 322 |
Anisotropic recombination of an immobilized photoinduced radical pair in a 50-μT magnetic field: a model avian photomagnetoreceptor
|
Cintolesi, F.
|
|
2003
|
1-10 |
Index 1 |
p. 385-399
15 p.
|
artikel
|
| 323 |
Anisotropic rotational behaviour of quinizarin in solution
|
Palit, D.K.
|
|
1988
|
1-10 |
Index 1 |
p. 441-452
12 p.
|
artikel
|
| 324 |
An iterative procedure to determine Lennard-Jones parameters for their use in quantum mechanics/molecular mechanics liquid state simulations
|
Martı́n, M.E.
|
|
2002
|
1-10 |
Index 1 |
p. 607-614
8 p.
|
artikel
|
| 325 |
An MC SCF study of the reaction C3H7
+ → C3H5
+ + H2
|
Almlöf, Jan
|
|
1984
|
1-10 |
Index 1 |
p. 55-62
8 p.
|
artikel
|
| 326 |
An MRD-CI study of the vertical 1(π,π*) VN transition of ethylene using an AO basis with optimized Rydderg ndπ species and two se
|
Buenker, Robert J.
|
|
1979
|
1-10 |
Index 1 |
p. 97-111
15 p.
|
artikel
|
| 327 |
An MS Xα and ETS study of the influence of “d” orbitals on the electron affinities of thio-substituted benzenes
|
Guerra, Maurizio
|
|
1984
|
1-10 |
Index 1 |
p. 383-390
8 p.
|
artikel
|
| 328 |
An NMR relaxation study on the hydrogen dynamics in malonic acid
|
Idziak, Stanislz.xlaw
|
|
1987
|
1-10 |
Index 1 |
p. 439-443
5 p.
|
artikel
|
| 329 |
Anomalous diffusion: nonlinear fractional Fokker–Planck equation
|
Tsallis, C.
|
|
2002
|
1-10 |
Index 1 |
p. 341-347
7 p.
|
artikel
|
| 330 |
Anomalous intensities and vibrational structure in the absorption spectra of benzene and benzene-d
6
|
Fischer, Gad
|
|
1992
|
1-10 |
Index 1 |
p. 211-223
13 p.
|
artikel
|
| 331 |
Anomalous magnetic effects. The role of association in the recombination of singlet radical pairs in liquids
|
Shokhirev, N.V.
|
|
1991
|
1-10 |
Index 1 |
p. 237-244
8 p.
|
artikel
|
| 332 |
Anomalous phase behavior of excess iodide in room-temperature ionic liquid: 1-methyl-3-propylimidazolium iodide
|
Abe, Hiroshi
|
|
2018
|
1-10 |
Index 1 |
p. 72-76
|
artikel
|
| 333 |
Anomalous populations in the Λ doublets of the c 1π state of NH
|
Alberti, F.
|
|
1978
|
1-10 |
Index 1 |
p. 399-402
4 p.
|
artikel
|
| 334 |
Anomalous structure in the A 6Σ+-X 6Σ+ transition of MnO caused by interference between two internal hyperfine perturbations
|
Adam, A.G.
|
|
1991
|
1-10 |
Index 1 |
p. 391-398
8 p.
|
artikel
|
| 335 |
A non-adiabatic wavepacket dynamical study of the low energy charge transfer process in the S3+
+H collision
|
Łabuda, Marta
|
|
2012
|
1-10 |
Index 1 |
p. 165-170
6 p.
|
artikel
|
| 336 |
An optically detected magnetic resonance study of Mn4+ in Cs2GeF6 and K2GeF6
|
Lifshitz, E.
|
|
1988
|
1-10 |
Index 1 |
p. 297-304
8 p.
|
artikel
|
| 337 |
An organic-inorganic hybrid hole transport bilayer for improving the performance of perovskite solar cells
|
Liu, Guanchen
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 338 |
A note on dissociative photoionization of neopentane in the 10–30 e V photon energy range
|
Cauletti, C.
|
|
1994
|
1-10 |
Index 1 |
p. 387-393
7 p.
|
artikel
|
| 339 |
A novel approach to calculation of the second-order nonlinear optical susceptibilities of organic crystals based on energy-band theory
|
Zhu, Xiao-Lei
|
|
2000
|
1-10 |
Index 1 |
p. 287-296
10 p.
|
artikel
|
| 340 |
A novel chalcone-analogue as an optical sensor based on ground and excited states intramolecular charge transfer: A combined experimental and theoretical study
|
Fayed, Tarek A.
|
|
2006
|
1-10 |
Index 1 |
p. 631-638
8 p.
|
artikel
|
| 341 |
A novel ligand swing-mediated active site coordination change of human apurinic/apyrimidinic endonuclease 1: A potential cytotoxic mechanism of nickel ion in the base excision repair
|
Wu, Zhixiang
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 342 |
A novel topological crystalline insulator in planar pentacoordinate OsS2 monolayer
|
Pang, Zhao-xia
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 343 |
An SCF and MRD-CI study of the ground and excited states of the He + H2 system. I. Calculated potential surfaces
|
Römelt, Joachim
|
|
1978
|
1-10 |
Index 1 |
p. 403-422
20 p.
|
artikel
|
| 344 |
An SCF and MRD-CI study of the ground and excited states of the He + H2 system. II. Quenching of HD (1Σ+
u) fluorescence and other energy transfer processes
|
Römelt, Joachim
|
|
1979
|
1-10 |
Index 1 |
p. 133-141
9 p.
|
artikel
|
| 345 |
Anti-Smoluchowski time dependence of the delayed fluorescence from anthracene in viscous solution due to triplet-triplet annihilation
|
Nickel, Bernhard
|
|
1994
|
1-10 |
Index 1 |
p. 267-287
21 p.
|
artikel
|
| 346 |
Anti-Stokes fluorescence of oxazine 1 in solution with continuous wave laser excitation at 785nm
|
Kumazaki, Shigeichi
|
|
2013
|
1-10 |
Index 1 |
p. 107-112
6 p.
|
artikel
|
| 347 |
Antisymmetric double exchange in trimeric mixed-valence clusters
|
Belinsky, Moisey I.
|
|
2003
|
1-10 |
Index 1 |
p. 1-25
25 p.
|
artikel
|
| 348 |
Antisymmetric polarizabilities of rotational sublevels for linear molecules with a non-degenerate ground electronic state
|
Zheng, Ren-hui
|
|
2002
|
1-10 |
Index 1 |
p. 261-276
16 p.
|
artikel
|
| 349 |
A one-dimensional, self-consistent model of charged particle transport and vibrational kinetics in weakly ionized hydrogen
|
Longo, S.
|
|
2001
|
1-10 |
Index 1 |
p. 219-229
11 p.
|
artikel
|
| 350 |
A perturbation theory treatment of oscillating magnetic fields in the radical pair mechanism (Chemical Physics 182 (1994) 1–18)
|
Canfield, J.M.
|
|
1995
|
1-10 |
Index 1 |
p. 347-
1 p.
|
artikel
|
| 351 |
A photoabsorption and mass spectrometry study of pyrrole
|
Rennie, E.E.
|
|
1999
|
1-10 |
Index 1 |
p. 217-236
20 p.
|
artikel
|
| 352 |
A photoelectron spectroscopic study of low-lying Rydberg states in molecular chlorine using multiphoton ionisation
|
Koenders, B.G.
|
|
1987
|
1-10 |
Index 1 |
p. 113-121
9 p.
|
artikel
|
| 353 |
A post-collision internal energy model for O(3P)+SO2(
X
,
1
A
1
) in DSMC based on Molecular Dynamics computations
|
Parsons, Neal
|
|
2014
|
1-10 |
Index 1 |
p. 33-44
12 p.
|
artikel
|
| 354 |
Application of particle-mesh Ewald summation to ONIOM theory
|
Kobayashi, Osamu
|
|
2015
|
1-10 |
Index 1 |
p. 47-57
11 p.
|
artikel
|
| 355 |
Application of the “helium excitation standard” procedure to some hydrocarbon Hβ absolute emission cross section measurements
|
Kurepa, J.M.
|
|
1979
|
1-10 |
Index 1 |
p. 361-368
8 p.
|
artikel
|
| 356 |
Application of the Yukawa potential to the auto-controlled mechanism of the ovalbumin molecule in aqueous systems
|
Matsumoto, Takayoshi
|
|
1992
|
1-10 |
Index 1 |
p. 299-302
4 p.
|
artikel
|
| 357 |
Application of the (Z + 1)-core analogy model to tetrahedral compounds of first- and second-row elements
|
Koch, A.
|
|
1992
|
1-10 |
Index 1 |
p. 169-187
19 p.
|
artikel
|
| 358 |
Application of time-resolved near-infrared spectroscopy (TRNIR) to the metal-to-ligand charge transfer (MLCT) excited state(s) of
Os
(
phen
)
3
2
+
|
Dattelbaum, Dana M.
|
|
2006
|
1-10 |
Index 1 |
p. 71-78
8 p.
|
artikel
|
| 359 |
Applications of an adiabatic rotational model to the Ar…O2 van der Waals molecule
|
Serrano, C.
|
|
1985
|
1-10 |
Index 1 |
p. 155-162
8 p.
|
artikel
|
| 360 |
Applications of neural networks to the simulation of dynamics of open quantum systems
|
Bandyopadhyay, Sayantan
|
|
2018
|
1-10 |
Index 1 |
p. 272-278
|
artikel
|
| 361 |
Approximate molecular orbital theory: the ese MO formalism. I. General theory and notation
|
Burton, P.G.
|
|
1974
|
1-10 |
Index 1 |
p. 220-225
6 p.
|
artikel
|
| 362 |
A quantum chemical study of the N2H+
+e−
→N2
+H reaction I: The linear dissociation path
|
Talbi, D.
|
|
2007
|
1-10 |
Index 1 |
p. 298-303
6 p.
|
artikel
|
| 363 |
A quantum dynamical study of the photoelectron spectra and the Renner-Teller effect in BrCN and ClCN based on four-component potential energy hypersurfaces
|
Tran, V.A.
|
|
|
1-10 |
Index 1 |
p. 151-162
|
artikel
|
| 364 |
A quantum-mechanical investigation of collinear models for collision-induced dissociation
|
Bergeron, Guy
|
|
1985
|
1-10 |
Index 1 |
p. 253-264
12 p.
|
artikel
|
| 365 |
A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals
|
Franke, R.
|
|
1997
|
1-10 |
Index 1 |
p. 243-257
15 p.
|
artikel
|
| 366 |
A Quasiclassical trajectory study of collisional excitation in O(3P)+CO2
|
Schatz, George C.
|
|
1981
|
1-10 |
Index 1 |
p. 195-201
7 p.
|
artikel
|
| 367 |
A quasiclassical trajectory study of vibrational energy transfer in collisions involving intermolecular attraction of moderate strength
|
Osborn, Martin K.
|
|
1984
|
1-10 |
Index 1 |
p. 13-26
14 p.
|
artikel
|
| 368 |
Aqueous bimolecular proton transfer in acid–base neutralization
|
Mohammed, Omar F.
|
|
2007
|
1-10 |
Index 1 |
p. 240-257
18 p.
|
artikel
|
| 369 |
A re-evaluation of the effects of parent-molecule bending and overall rotation in triatomic direct photofragmentation. A more extensive study of ICN + hv → CN + I
|
Pattengill, M.D.
|
|
1984
|
1-10 |
Index 1 |
p. 419-429
11 p.
|
artikel
|
| 370 |
A relativistic density functional study of Si
n
(n
=7–13) clusters with rare earth ytterbium impurity
|
Zhao, Run-Ning
|
|
2010
|
1-10 |
Index 1 |
p. 89-95
7 p.
|
artikel
|
| 371 |
A relativistic lcao hartree-fock-slater investigation of the electronic structure of the actinocenes M(COT)2, M = Th, Pa, U, Np AND Pu
|
Boerrigter, P.M.
|
|
1988
|
1-10 |
Index 1 |
p. 357-374
18 p.
|
artikel
|
| 372 |
A relaxation time study of molecular motion in trimethylolpropane triacrylate and trimethylolpropane trimethacrylate
|
Harrell Jr., J.W.
|
|
1989
|
1-10 |
Index 1 |
p. 383-390
8 p.
|
artikel
|
| 373 |
A relaxation time study of molecular motions in the glass and crystalline phases of 1,6-hexanediol dimethacrylate
|
Harrell Jr., J.W.
|
|
1992
|
1-10 |
Index 1 |
p. 413-418
6 p.
|
artikel
|
| 374 |
A 2+1 REMPI study of the E-X transition in CO. Indirect predissociations in the E 1Π state
|
Baker, J.
|
|
1993
|
1-10 |
Index 1 |
p. 569-579
11 p.
|
artikel
|
| 375 |
Are vibrational relaxation times really constant? I. The vibrational relaxation of N2O
|
Baalbaki, Z.
|
|
1986
|
1-10 |
Index 1 |
p. 83-106
24 p.
|
artikel
|
| 376 |
ArF laser photodissociation of NH3 at 193 nm: internal energy distributions in NH2 X̃2B1 and Ã2A1, and two-photon generatin of NH A 3Π and b 1Σ+
|
Donnelly, V.M.
|
|
1979
|
1-10 |
Index 1 |
p. 271-281
11 p.
|
artikel
|
| 377 |
Argon ion laser excitation of supersonic seeded molecular beams of I2
|
Aoiz, F.J.
|
|
1983
|
1-10 |
Index 1 |
p. 321-339
19 p.
|
artikel
|
| 378 |
A route to inversion for rotational collisions using hard shape potentials
|
Belchior, J.C
|
|
1996
|
1-10 |
Index 1 |
p. 401-406
6 p.
|
artikel
|
| 379 |
Ar∗ (3P2) / Kr∗ (3P0,2) + N2(X) excitation transfer collisions: Final state rotational alignment
|
Vredenbregt, E.J.D.
|
|
1997
|
1-10 |
Index 1 |
p. 273-279
7 p.
|
artikel
|
| 380 |
A scaling theoretical analysis of vibrational relaxation experiments: rotational effects and long-range collisions
|
DePristo, Andrew E.
|
|
1979
|
1-10 |
Index 1 |
p. 171-187
17 p.
|
artikel
|
| 381 |
A semiclassical study of vibrational and rotational transition in He+H2 at suprathermal energies
|
Sakimoto, Kazuhiro
|
|
1999
|
1-10 |
Index 1 |
p. 1-14
14 p.
|
artikel
|
| 382 |
A semiclassical surface hopping formalism for solvent-induced vibrational relaxtion
|
Herman, Michael F.
|
|
1994
|
1-10 |
Index 1 |
p. 335-350
16 p.
|
artikel
|
| 383 |
A simple classical prediction of quantal resonances in collinear reactive scattering
|
Pollak, Eli
|
|
1981
|
1-10 |
Index 1 |
p. 23-32
10 p.
|
artikel
|
| 384 |
A simple method for calculating the corrugation of metal surfaces
|
Lehnert, W.
|
|
1999
|
1-10 |
Index 1 |
p. 207-214
8 p.
|
artikel
|
| 385 |
A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction
|
Roos, Björn O.
|
|
1982
|
1-10 |
Index 1 |
p. 197-207
11 p.
|
artikel
|
| 386 |
A simple model of chemical reaction: Foto (forced oscillation of a tightening oscillator)
|
Pattengill, M.D.
|
|
1974
|
1-10 |
Index 1 |
p. 1-18
18 p.
|
artikel
|
| 387 |
A simple numerical model of vibrational energy transfer in polyatomic gases
|
Bailey, R.T.
|
|
1993
|
1-10 |
Index 1 |
p. 259-266
8 p.
|
artikel
|
| 388 |
A singular pertubation theory for reaction-diffusion equations
|
Gitterman, Mosche
|
|
1994
|
1-10 |
Index 1 |
p. 319-328
10 p.
|
artikel
|
| 389 |
A spectroscopic and computational study of the singlet and triplet excited states of synthetic β-functionalized chlorins
|
Brückner, Christian
|
|
2003
|
1-10 |
Index 1 |
p. 285-303
19 p.
|
artikel
|
| 390 |
Assessing the structure of classical molecular optimal control landscapes
|
Joe-Wong, Carlee
|
|
2019
|
1-10 |
Index 1 |
p.
|
artikel
|
| 391 |
Assignment of rate constants to exit channels from quenching of He(23S) metastable atoms
|
Chang, R.S.F.
|
|
1978
|
1-10 |
Index 1 |
p. 201-214
14 p.
|
artikel
|
| 392 |
Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations
|
Palmer, Michael H.
|
|
2003
|
1-10 |
Index 1 |
p. 287-306
20 p.
|
artikel
|
| 393 |
Association equation of state (AEOS) based on aggregate formation for pure substance
|
Mohsen-Nia, M.
|
|
2007
|
1-10 |
Index 1 |
p. 22-26
5 p.
|
artikel
|
| 394 |
A state-selected study of
Ar
+(2
P
3
2
,
1
2
) O
2
charge transfer at collision energies below 4 eV using synchrotron radiation and guided beam techniques
|
Dutuit, O.
|
|
1996
|
1-10 |
Index 1 |
p. 177-194
18 p.
|
artikel
|
| 395 |
A study of carrier generation in β-metal-free phthalocyanine
|
Popovic, Zoran D.
|
|
1984
|
1-10 |
Index 1 |
p. 311-321
11 p.
|
artikel
|
| 396 |
A study of magnetic ordering and phase transitions in ferrous iodide by means of high field 57Fe Mössbauer spectroscopy
|
Calis, G.H.M.
|
|
1982
|
1-10 |
Index 1 |
p. 273-285
13 p.
|
artikel
|
| 397 |
A study of the absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of carbon dioxide from the ionisation threshold to 345 Å
|
Shaw, D.A.
|
|
1995
|
1-10 |
Index 1 |
p. 381-396
16 p.
|
artikel
|
| 398 |
A study of the collisional quenching of Ca(4s4p(3P
J
)) and Ca(4s3d(1D2)) with N2O by time-resolved atomic emission and time-resolved molecular chemiluminescence from CaO
|
Husain, David
|
|
1986
|
1-10 |
Index 1 |
p. 393-416
24 p.
|
artikel
|
| 399 |
A study of the S1 61 (1A″2) vibronically excited state of sym-triazine by high-resolution UV laser spectroscopy
|
de Haag, Paul Uijt
|
|
1991
|
1-10 |
Index 1 |
p. 371-383
13 p.
|
artikel
|
| 400 |
A study of the spectroscopic and thermodynamic properties of furan by means of photoabsorption, photoelectron and photoion spectroscopy
|
Rennie, E.E
|
|
1998
|
1-10 |
Index 1 |
p. 365-385
21 p.
|
artikel
|
| 401 |
A study of the S2(X 3Σ−
g) molecule by multiphoton ionization spectroscopy
|
Barnes, M.
|
|
1992
|
1-10 |
Index 1 |
p. 229-239
11 p.
|
artikel
|
| 402 |
A study of the threshold photoelectron spectra and the photoionisation yield curves of the boron trihalides
|
Mackie, R.A
|
|
2003
|
1-10 |
Index 1 |
p. 211-240
30 p.
|
artikel
|
| 403 |
A study of the two-photon spectrum of and vibronic coupling in the first system of pyrene
|
Bree, A.
|
|
1986
|
1-10 |
Index 1 |
p. 211-225
15 p.
|
artikel
|
| 404 |
A study of the unimolecular decomposition of internal-energy-selected furan molecular ions by threshold-photoelectron–photoion coincidence spectroscopy
|
Rennie, E.E.
|
|
2001
|
1-10 |
Index 1 |
p. 149-165
17 p.
|
artikel
|
| 405 |
A study of the valence orbitals of H2S by electron momentum spectroscopy: Quantitative comparisons using Hartree-Fock limit and correlated wavefunctions
|
French, C.L.
|
|
1988
|
1-10 |
Index 1 |
p. 247-269
23 p.
|
artikel
|
| 406 |
A study of the valence shell electronic structure and photoionisation dynamics of ortho-dichlorobenzene, ortho-bromochlorobenzene and trichlorobenzene
|
Holland, D.M.P.
|
|
2015
|
1-10 |
Index 1 |
p. 61-75
|
artikel
|
| 407 |
A study of the valence shell electronic structure and photoionisation dynamics of s-triazine
|
Coriani, S.
|
|
|
1-10 |
Index 1 |
p. 115-124
|
artikel
|
| 408 |
A study of the valence shell electronic structure of uracil and the methyluracils
|
Holland, D.M.P.
|
|
2008
|
1-10 |
Index 1 |
p. 47-58
12 p.
|
artikel
|
| 409 |
A study of the valence shell photoionisation yields of the cyanogen halides
|
Holland, D.M.P.
|
|
2004
|
1-10 |
Index 1 |
p. 75-84
10 p.
|
artikel
|
| 410 |
A study of the valence shell spectroscopic and thermodynamic properties of thiophene by photoabsorption and photoion spectroscopy
|
Rennie, E.E.
|
|
2004
|
1-10 |
Index 1 |
p. 295-308
14 p.
|
artikel
|
| 411 |
A study of vibronic coupling in excited neutral and ionic states of carbon dioxide
|
Shaw, D.A.
|
|
2006
|
1-10 |
Index 1 |
p. 515-526
12 p.
|
artikel
|
| 412 |
Asymmetric anion effects of anions in ionic liquids: Crystal polymorphs and magnetic properties
|
Abe, Hiroshi
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 413 |
A symmetry analysis of electric-field-induced spectra
|
Andrews, David L.
|
|
1984
|
1-10 |
Index 1 |
p. 1-5
5 p.
|
artikel
|
| 414 |
A systematic experimental study of the v
O—H…O and v
O—D…O in bands of the H bonds of HCOOH and DCOOD crystals
|
Zelsmann, H.R.
|
|
1974
|
1-10 |
Index 1 |
p. 367-381
15 p.
|
artikel
|
| 415 |
A systematic investigation of the influence of Cooper minima on the photoionisation dynamics of the monohalobenzenes
|
Holland, D.M.P
|
|
2000
|
1-10 |
Index 1 |
p. 133-155
23 p.
|
artikel
|
| 416 |
A TDDFT study of the lowest excitation energies of polycyclic aromatic hydrocarbons
|
Parac, Maja
|
|
2003
|
1-10 |
Index 1 |
p. 11-21
11 p.
|
artikel
|
| 417 |
A test of the bubble collapse rate effect on positronium reactions in solutions
|
Shantarovich, V.P.
|
|
1978
|
1-10 |
Index 1 |
p. 39-45
7 p.
|
artikel
|
| 418 |
A test of the semiclassical Wigner method for the reaction F + H2 → H + HF
|
Azriel, V.M.
|
|
1995
|
1-10 |
Index 1 |
p. 243-258
16 p.
|
artikel
|
| 419 |
A theoretical ab initio SCF CI investigation of the Na + H2 reaction: The possibility of new photoreactive channels in the 4 eV region
|
Sevin, A.
|
|
1985
|
1-10 |
Index 1 |
p. 49-61
13 p.
|
artikel
|
| 420 |
A theoretical analysis of magnetic circular dichroism ofthe 7F0 → 5D1 and 7F1 → 5D0 transitions in solutions of EuC
|
Sage, Martin L.
|
|
1979
|
1-10 |
Index 1 |
p. 171-180
10 p.
|
artikel
|
| 421 |
A theoretical analysis of the high-resolution SEPI Raman technique
|
Collins, Michael A.
|
|
1985
|
1-10 |
Index 1 |
p. 291-308
18 p.
|
artikel
|
| 422 |
A theoretical analysis of three-wave mixing in an optically active medium
|
Wagnière, G.
|
|
1981
|
1-10 |
Index 1 |
p. 411-417
7 p.
|
artikel
|
| 423 |
A theoretical calculation of the absorption spectrum of CH2
+
|
Osmann, Gerald
|
|
1997
|
1-10 |
Index 1 |
p. 33-54
22 p.
|
artikel
|
| 424 |
A theoretical explanation for quantum yield failure in bacterial photosynthetic reaction centers
|
Franzen, Stefan
|
|
2002
|
1-10 |
Index 1 |
p. 115-127
13 p.
|
artikel
|
| 425 |
A theoretical exploratory study of low-energy (1–2 eV) electron catalysis in the
CO
2
+H
2
→HCOOH
gas phase process
|
Chevreau, Hilaire
|
|
2000
|
1-10 |
Index 1 |
p. 99-108
10 p.
|
artikel
|
| 426 |
A theoretical investigation on the core processes of 1-alkenes
|
Fronzoni, G.
|
|
1996
|
1-10 |
Index 1 |
p. 1-18
18 p.
|
artikel
|
| 427 |
A theoretical investigation on the predictability of genetic patterns
|
Pinčák, Richard
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 428 |
A theoretical investigation on the
Ti
(
H
2
O
)
n
0
,
1
+
(
n
=
1
–
5
)
clusters by density functional theory methods
|
Han, Ju-Guang
|
|
2006
|
1-10 |
Index 1 |
p. 249-258
10 p.
|
artikel
|
| 429 |
A theoretical reinvestigation of the A 1∏u state of N2
2+
|
Bennett, Frederick R.
|
|
1995
|
1-10 |
Index 1 |
p. 53-60
8 p.
|
artikel
|
| 430 |
A theoretical study of C3 molecule trapped in rare gas matrices: Influence of bent or linear configuration on the infrared spectra
|
Lakhlifi, A.
|
|
1997
|
1-10 |
Index 1 |
p. 241-257
17 p.
|
artikel
|
| 431 |
A theoretical study of electronic spectra in the linear cationic chains NC2
n
+1N+ (n=
1–6)
|
Zhao, Yuan
|
|
2011
|
1-10 |
Index 1 |
p. 23-28
6 p.
|
artikel
|
| 432 |
A theoretical study of spectroscopic properties and transition moments of HBr
|
Chapman, Douglas A.
|
|
1987
|
1-10 |
Index 1 |
p. 333-343
11 p.
|
artikel
|
| 433 |
A theoretical study of temperature dependence of cluster formation from sulfuric acid and ammonia
|
Chon, Nara Lee
|
|
2014
|
1-10 |
Index 1 |
p. 60-66
7 p.
|
artikel
|
| 434 |
A theoretical study of the binding and electronic spectrum of the Mo2 molecule
|
Borin, Antonio Carlos
|
|
2008
|
1-10 |
Index 1 |
p. 210-216
7 p.
|
artikel
|
| 435 |
A theoretical study of the dynamics of the reaction C(3P)+NO(X2Π)→CN(X2Σ+)+O(3P)
|
Halvick, P.
|
|
1989
|
1-10 |
Index 1 |
p. 375-390
16 p.
|
artikel
|
| 436 |
A theoretical study of the ground and first excited singlet state proton transfer reaction in isolated 7-azaindole–water complexes
|
Casadesús, Ricard
|
|
2003
|
1-10 |
Index 1 |
p. 319-336
18 p.
|
artikel
|
| 437 |
A theoretical study of the (H2)2 dimer. III. The isotropic potential
|
Wind, Peter
|
|
1993
|
1-10 |
Index 1 |
p. 345-350
6 p.
|
artikel
|
| 438 |
A Theoretical study of the reaction of Mg(3s3p 3P) with H2
|
Adams, Noah
|
|
1981
|
1-10 |
Index 1 |
p. 327-335
9 p.
|
artikel
|
| 439 |
A theoretical study on clusters of benzoic acid–water in benzene solutions
|
Sagarik, Kritsana
|
|
2004
|
1-10 |
Index 1 |
p. 1-12
12 p.
|
artikel
|
| 440 |
A theoretical study on mechanism and kinetics of the C2H3 + C2H3 recombination and the isomerization and dissociation of butadiene
|
Pham, Tien V.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 441 |
A theoretical study on structural and electronic properties of Zr-doped B clusters: ZrB
n
(n
=1–12)
|
Yao, Jian-Gang
|
|
2008
|
1-10 |
Index 1 |
p. 1-6
6 p.
|
artikel
|
| 442 |
A theoretical study on the equilibrium structures, vibrational frequencies and photoelectron spectroscopy of thiocarbonyl fluoride by using density functional and coupled-cluster theories
|
Huang, Cyong-Huei
|
|
2014
|
1-10 |
Index 1 |
p. 99-105
7 p.
|
artikel
|
| 443 |
A theoretical study on the vibrationally state-selected hydrogen transfer reaction: NH+
3 (ν) + NH3 → NH+
4 + NH2. An ab initio MR-SD-CI and classical trajectory approach
|
Tachikawa, Hiroto
|
|
1994
|
1-10 |
Index 1 |
p. 185-194
10 p.
|
artikel
|
| 444 |
A theory of electron transfer reactions at film-covered metal electrodes
|
Schmickler, W.
|
|
1977
|
1-10 |
Index 1 |
p. 217-232
16 p.
|
artikel
|
| 445 |
A 1,3,4-thiadiazole functionalized Schiff base based fluorescence enhancement and colorimetric probe for detection of Cu (II) ion and its potential applications
|
Zhao, Jianing
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 446 |
A time domain photoacoustic study of the collisional relaxation of vibrationally excited H2
|
Kreutz, Thomas G.
|
|
1988
|
1-10 |
Index 1 |
p. 359-369
11 p.
|
artikel
|
| 447 |
A time-independent wavepacket approach to the (t, t′)-method for treating time-dependent Hamiltonian systems
|
Althorpe, Stuart C.
|
|
1997
|
1-10 |
Index 1 |
p. 289-296
8 p.
|
artikel
|
| 448 |
A time-resolved fluorescence study of electronic excitation energy transport in concentrated dye solutions
|
Scully, A.D.
|
|
1991
|
1-10 |
Index 1 |
p. 253-269
17 p.
|
artikel
|
| 449 |
Atomic potassium photodissociation lasers from 1 to 4 μm
|
Clark, B.K.
|
|
1993
|
1-10 |
Index 1 |
p. 327-333
7 p.
|
artikel
|
| 450 |
Atomic radical–molecule reaction N (4S)+NO2 (2A1): Mechanistic study
|
Zuo, Ming-Hui
|
|
2009
|
1-10 |
Index 1 |
p. 80-84
5 p.
|
artikel
|
| 451 |
Atom—molecule sudden theory of scattering: AB Initio corrections and range of validity of the collision model
|
Varracchio, E.Ficocelli
|
|
1982
|
1-10 |
Index 1 |
p. 303-316
14 p.
|
artikel
|
| 452 |
A trajectory surface-hopping study of chemical reaction and collision-induced dissociation in the HD++He system
|
Dong, Keling
|
|
1994
|
1-10 |
Index 1 |
p. 143-151
9 p.
|
artikel
|
| 453 |
Attosecond control of the dissociative ionization via electron localization: A comparison between
D
2
and CO
|
von den Hoff, P.
|
|
2009
|
1-10 |
Index 1 |
p. 139-147
9 p.
|
artikel
|
| 454 |
A two-dimensional model for energy transfer in pure and mixed J-aggregates
|
Lemaistre, J.P.
|
|
2007
|
1-10 |
Index 1 |
p. 186-193
8 p.
|
artikel
|
| 455 |
Auger spectra of linear alkynes and alkenes. Experiment and theory
|
Liegener, Christoph
|
|
1994
|
1-10 |
Index 1 |
p. 313-323
11 p.
|
artikel
|
| 456 |
A uniqueness-theorem for “linear” thermal baths
|
Reimann, Peter
|
|
2001
|
1-10 |
Index 1 |
p. 337-346
10 p.
|
artikel
|
| 457 |
Author index
|
|
|
2003
|
1-10 |
Index 1 |
p. 435-439
5 p.
|
artikel
|
| 458 |
Author index
|
|
|
2002
|
1-10 |
Index 1 |
p. 335-337
3 p.
|
artikel
|
| 459 |
Author Index
|
|
|
2002
|
1-10 |
Index 1 |
p. 481-485
5 p.
|
artikel
|
| 460 |
Author index
|
|
|
2002
|
1-10 |
Index 1 |
p. 465-469
5 p.
|
artikel
|
| 461 |
Author index of volume 1
|
|
|
1973
|
1-10 |
Index 1 |
p. 487-491
5 p.
|
artikel
|
| 462 |
Author index of volume 3
|
|
|
1974
|
1-10 |
Index 1 |
p. 490-493
4 p.
|
artikel
|
| 463 |
Author index to volume 38
|
|
|
1979
|
1-10 |
Index 1 |
p. 421-423
3 p.
|
artikel
|
| 464 |
Author index to volume 48
|
|
|
1980
|
1-10 |
Index 1 |
p. 417-420
4 p.
|
artikel
|
| 465 |
Author index to volume 15
|
|
|
1976
|
1-10 |
Index 1 |
p. 485-488
4 p.
|
artikel
|
| 466 |
Author index to volume 63
|
|
|
1981
|
1-10 |
Index 1 |
p. 491-494
4 p.
|
artikel
|
| 467 |
Author index to volume 124
|
|
|
1988
|
1-10 |
Index 1 |
p. 465-469
5 p.
|
artikel
|
| 468 |
Author index to volume 180
|
|
|
1994
|
1-10 |
Index 1 |
p. 343-345
3 p.
|
artikel
|
| 469 |
Author index to volume 184
|
|
|
1994
|
1-10 |
Index 1 |
p. 378-381
4 p.
|
artikel
|
| 470 |
Author index to volume 182
|
|
|
1994
|
1-10 |
Index 1 |
p. 409-412
4 p.
|
artikel
|
| 471 |
Author index to volume 213
|
|
|
1996
|
1-10 |
Index 1 |
p. 489-493
5 p.
|
artikel
|
| 472 |
Author index to volume 120
|
|
|
1988
|
1-10 |
Index 1 |
p. 468-471
4 p.
|
artikel
|
| 473 |
Author index to volume 221
|
|
|
1997
|
1-10 |
Index 1 |
p. 333-335
3 p.
|
artikel
|
| 474 |
Author index to volume 219
|
|
|
1997
|
1-10 |
Index 1 |
p. 359-362
4 p.
|
artikel
|
| 475 |
Author index to volume 123
|
|
|
1988
|
1-10 |
Index 1 |
p. 461-464
4 p.
|
artikel
|
| 476 |
Author index to volume 127
|
|
|
1988
|
1-10 |
Index 1 |
p. 458-461
4 p.
|
artikel
|
| 477 |
Author index to volume 135
|
|
|
1989
|
1-10 |
Index 1 |
p. 467-470
4 p.
|
artikel
|
| 478 |
Author index to volume 64
|
|
|
1982
|
1-10 |
Index 1 |
p. 449-452
4 p.
|
artikel
|
| 479 |
Author index to volume 121
|
|
|
1988
|
1-10 |
Index 1 |
p. 472-476
5 p.
|
artikel
|
| 480 |
Author index to volume 105
|
|
|
1986
|
1-10 |
Index 1 |
p. 480-483
4 p.
|
artikel
|
| 481 |
Author index to volume 78
|
|
|
1983
|
1-10 |
Index 1 |
p. 463-466
4 p.
|
artikel
|
| 482 |
Author index to volume 54
|
|
|
1981
|
1-10 |
Index 1 |
p. 425-428
4 p.
|
artikel
|
| 483 |
Author index to volume 100
|
|
|
1985
|
1-10 |
Index 1 |
p. 456-459
4 p.
|
artikel
|
| 484 |
Author index to volumes 1–10
|
|
|
1973
|
1-10 |
Index 1 |
p. 1-32
32 p.
|
artikel
|
| 485 |
Author index to volumes 191–200
|
|
|
1995
|
1-10 |
Index 1 |
p. 1-32
32 p.
|
artikel
|
| 486 |
Author index to volumes 121–130
|
|
|
1989
|
1-10 |
Index 1 |
p. 1-49
49 p.
|
artikel
|
| 487 |
Author index volume 27
|
|
|
1978
|
1-10 |
Index 1 |
p. 465-468
4 p.
|
artikel
|
| 488 |
Autodetachment spectroscopy of vibrationally excited acetaldehyde enolate anion, CH2CHO−
|
Mullin, Amy S.
|
|
1992
|
1-10 |
Index 1 |
p. 207-213
7 p.
|
artikel
|
| 489 |
Autoionization in HCl and DCl by photoelectron spectroscopy
|
Natalis, P.
|
|
1982
|
1-10 |
Index 1 |
p. 191-201
11 p.
|
artikel
|
| 490 |
Auto-ionization of the collisional complexes of metastable neon and H2, D2, or HD
|
Brunetti, Brunetto
|
|
1996
|
1-10 |
Index 1 |
p. 205-216
12 p.
|
artikel
|
| 491 |
A Valence-Bond/Hartree–Fock method to determine the Hubbard transfer integrals in organic conductors
|
Castet, F.
|
|
1998
|
1-10 |
Index 1 |
p. 37-47
11 p.
|
artikel
|
| 492 |
A variational approach of the calculation of Franck–Condon factors: the F2BO emission spectrum
|
Baraille, I
|
|
2002
|
1-10 |
Index 1 |
p. 9-20
12 p.
|
artikel
|
| 493 |
A variety of properties of the
a
1Δ excited state of PF computed by configuration interaction calculations
|
de Brouckère, G.
|
|
2001
|
1-10 |
Index 1 |
p. 163-173
11 p.
|
artikel
|
| 494 |
Averaged discriminatory interactions in chiral systems
|
Schipper, Pieter E.
|
|
1977
|
1-10 |
Index 1 |
p. 29-34
6 p.
|
artikel
|
| 495 |
A versatile experimental approach for understanding electron transport through organic materials
|
Rampi, Maria A.
|
|
2002
|
1-10 |
Index 1 |
p. 373-391
19 p.
|
artikel
|
| 496 |
A vibronic symmetry correlation theory for photo-induced addition and dissociation reactions
|
Chiu, Ying-Nan
|
|
1989
|
1-10 |
Index 1 |
p. 191-197
7 p.
|
artikel
|
| 497 |
Avoided-crossing molecular-beam spectroscopy of CH3SiF3
|
Leo Meerts, W.
|
|
1982
|
1-10 |
Index 1 |
p. 401-415
15 p.
|
artikel
|
| 498 |
Avoided-crossing molecular-beam study of the torsion-rotation energy levels of CH3CF3
|
Meerts, W.Leo
|
|
1991
|
1-10 |
Index 1 |
p. 241-259
19 p.
|
artikel
|
| 499 |
à 2A1 → X̃ 2B1 emission spectrum of cis-1,2-difluoroethylene cation and the non-radiation decay of the à states of the haloethylene cations in the gaseous phase
|
Maier, John P.
|
|
1979
|
1-10 |
Index 1 |
p. 131-136
6 p.
|
artikel
|
| 500 |
Azulene: polarized absorption in stretched polymers and magnetic circular dichroism
|
Thulstrup, Erik W.
|
|
1974
|
1-10 |
Index 1 |
p. 410-418
9 p.
|
artikel
|
| 501 |
Band gap analysis and correlation with glass structure in phosphate glasses melted with various allotropes of carbon
|
Sendova, Mariana
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 502 |
Band intensities in SVL fluorescence from C6H6 vapor: Franck-condon factors, fermi resonances, and a quantitative test of Herzberg-Teller theory
|
Parmenter, C.S.
|
|
1976
|
1-10 |
Index 1 |
p. 359-376
18 p.
|
artikel
|
| 503 |
Barriers to internal rotation, vibrational assignment, and ab initio calculations for chloroacetyl chloride
|
Durig, J.R.
|
|
1988
|
1-10 |
Index 1 |
p. 353-365
13 p.
|
artikel
|
| 504 |
B
(π−1) →
A
(π−1),
X
(π−1) emission spectra of chlorofluorobenzene cations in the gaseous phase and their lifetimes in the
B
(0o) states
|
Maier, John P.
|
|
1980
|
1-10 |
Index 1 |
p. 295-305
11 p.
|
artikel
|
| 505 |
Beam maser rotational relaxation measurements on OCS
|
Williams, J.R.
|
|
1979
|
1-10 |
Index 1 |
p. 201-205
5 p.
|
artikel
|
| 506 |
Beats in internal vibrational energy redistribution in trans-stilbene — A study of the quantum and classical correspondence
|
Bolton, Kim
|
|
1996
|
1-10 |
Index 1 |
p. 63-76
14 p.
|
artikel
|
| 507 |
Behavior of the rate constant for reactions in restricted spaces: case of luminescence quenching in water-in-oil microemulsions
|
Lianos, P.
|
|
1993
|
1-10 |
Index 1 |
p. 235-241
7 p.
|
artikel
|
| 508 |
Benchmark measurement of iodobenzene ion fragmentation rates
|
Dannacher, J.
|
|
1983
|
1-10 |
Index 1 |
p. 23-35
13 p.
|
artikel
|
| 509 |
Benchmark rate constants by the hyperquantization algorithm. The F+H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity
|
Aquilanti, Vincenzo
|
|
2005
|
1-10 |
Index 1 |
p. 237-253
17 p.
|
artikel
|
| 510 |
Binary (e, 2e) spectroscopic study and momentum space chemistry of the two-electron systems He and H2
|
Leung, K.T.
|
|
1983
|
1-10 |
Index 1 |
p. 113-137
25 p.
|
artikel
|
| 511 |
Binary (e, 2e) spectroscopy and momentum-space chemistry of CO2
|
Cook, John P.D.
|
|
1982
|
1-10 |
Index 1 |
p. 339-356
18 p.
|
artikel
|
| 512 |
Binuclear ruthenium(II) complexes for amyloid fibrils recognition
|
Hanczyc, Piotr
|
|
2014
|
1-10 |
Index 1 |
p. 1-4
4 p.
|
artikel
|
| 513 |
BiOCl/α-Fe2O3 composite for enhanced photocatalytic degradation of gaseous styrene
|
Yao, Jieyu
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 514 |
Biphonons in crystal N2O
|
Cardini, Gianni
|
|
1988
|
1-10 |
Index 1 |
p. 241-251
11 p.
|
artikel
|
| 515 |
Bipolar magnetic semiconductor materials based on 2D Fe2O3 lattice
|
Pang, Zhao-xia
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 516 |
Biquadratic exchange results in strong splittings and shifts of spin levels of [Fe4S4]+ clusters in Heisenberg and double exchange models
|
Belinsky, Moisey I.
|
|
1997
|
1-10 |
Index 1 |
p. 195-210
16 p.
|
artikel
|
| 517 |
Bistable mixed-valence molecular architectures for bit storage
|
Guihery, Nathalie
|
|
1994
|
1-10 |
Index 1 |
p. 45-59
15 p.
|
artikel
|
| 518 |
Blue luminescent properties of Ce3+/Gd3+ co-doped NaBaBO3 phosphors
|
Lu, Shuang
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 519 |
Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1⩽
n
⩽3 and CH2F2⋯(HF)1⩽
n
⩽3
|
Karpfen, Alfred
|
|
2005
|
1-10 |
Index 1 |
p. 77-84
8 p.
|
artikel
|
| 520 |
Blue up-conversion emission from U4+-ion doped into Cs2ZrCl6 single crystal under green light (19436 cm−1) excitation
|
Xu, W.
|
|
1995
|
1-10 |
Index 1 |
p. 339-344
6 p.
|
artikel
|
| 521 |
Bond functions in molecular excited states: MRD CI calculations for the A3Σ+
u, B3Πg and W3Δu states of N2
|
Wright, James S.
|
|
1987
|
1-10 |
Index 1 |
p. 23-32
10 p.
|
artikel
|
| 522 |
Bonding and magnetism in transition metal sandwich structures with the aromatic hydrocarbon coronene C24H12 outer layers
|
Philpott, Michael R.
|
|
2007
|
1-10 |
Index 1 |
p. 223-235
13 p.
|
artikel
|
| 523 |
Bonding in zerovalent Ni compounds: NiN2 and Ni(N2)4 compared with NiCO and Ni(CO)4
|
Bauschlicher Jr., Charles W.
|
|
1989
|
1-10 |
Index 1 |
p. 431-437
7 p.
|
artikel
|
| 524 |
Boron-rare gas interaction potentials: broadening and quenching of boron emission lines
|
Taylor, Peter R.
|
|
1986
|
1-10 |
Index 1 |
p. 79-85
7 p.
|
artikel
|
| 525 |
Bound and low-lying quasi-bound rotation–vibration energy levels of the ground and first excited electronic states of HeH2
+
|
Kraemer, Wolfgang P.
|
|
2002
|
1-10 |
Index 1 |
p. 225-242
18 p.
|
artikel
|
| 526 |
Branching ratio for the production of I2P
sol1
2
) in the photodissociation of I2
|
Wiesenfeld, J.R.
|
|
1981
|
1-10 |
Index 1 |
p. 51-56
6 p.
|
artikel
|
| 527 |
Branching ratios and radiative rates of matrix-isolated NH in argon: The b 1Σ+→a 1Δ, X 3Δ− and a 1Δ− transitions
|
Ramsthaler-Sommer, A.
|
|
1990
|
1-10 |
Index 1 |
p. 331-338
8 p.
|
artikel
|
| 528 |
Break-down of the born-oppenheimer approximation in the He(23S)-H2 and He(21S)-H2 autoionizing systems?
|
Vojtík, J.
|
|
1986
|
1-10 |
Index 1 |
p. 115-119
5 p.
|
artikel
|
| 529 |
Breathing-sphere quantum calculations of integral and differential cross sections for vibrational excitation in ion (atom)—diatom collisions
|
Drolshagen, Gerhard
|
|
1983
|
1-10 |
Index 1 |
p. 159-177
19 p.
|
artikel
|
| 530 |
Brillouin spectra and intermolecular potential of crystalline benzene
|
Brunel, Louis-Claude
|
|
1979
|
1-10 |
Index 1 |
p. 201-210
10 p.
|
artikel
|
| 531 |
Broken symmetry approach and density functional theory calculations for heterospin system consisting of copper(II) and aminoxyl radicals
|
Noh, Elnoor A.A.
|
|
2006
|
1-10 |
Index 1 |
p. 82-89
8 p.
|
artikel
|
| 532 |
Brownian transport controlled by dichotomic and thermal fluctuations
1
The paper dedicated to the memory of Professor V.I. Mel'nikov.
1
|
Kula, J.
|
|
1998
|
1-10 |
Index 1 |
p. 27-37
11 p.
|
artikel
|
| 533 |
Calculated lifetimes and linewidth temperature dependence (1.5–150 K) of four internal vibrations of naphthalene crystal
|
Righini, R.
|
|
1984
|
1-10 |
Index 1 |
p. 97-104
8 p.
|
artikel
|
| 534 |
Calculated spectroscopic properties for NCCN, CNCN, CNNC AND HNCCN
|
Botschwina, Peter
|
|
1990
|
1-10 |
Index 1 |
p. 311-323
13 p.
|
artikel
|
| 535 |
Calculation of chiral discrimination for the adsorption of L- and D-alanine molecules on crystalline cellulose
|
Alvira, E.
|
|
1987
|
1-10 |
Index 1 |
p. 233-240
8 p.
|
artikel
|
| 536 |
Calculation of CIDNP field dependences in biradicals in the photolysis of large-ring cycloalkanones
|
Popov, A.V.
|
|
2000
|
1-10 |
Index 1 |
p. 83-95
13 p.
|
artikel
|
| 537 |
Calculation of electric dipole hypershieldings at the nuclei in diatomic molecules
|
Caputo, M.C
|
|
2002
|
1-10 |
Index 1 |
p. 601-606
6 p.
|
artikel
|
| 538 |
Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials
|
Straka, Michal
|
|
2005
|
1-10 |
Index 1 |
p. 45-56
12 p.
|
artikel
|
| 539 |
Calculation of
14
N
and
35
Cl
quadrupole coupling constants on optimized molecular structures of pyrimidine, 2-X- and 5-X-pyrimidine, with X=F, Cl, Br, and CN
|
Bailey, W.C
|
|
2001
|
1-10 |
Index 1 |
p. 75-81
7 p.
|
artikel
|
| 540 |
Calculation of predissociation rates in O2
2+ by ab initio MRD-CI methods
|
Edvardsson, David
|
|
1998
|
1-10 |
Index 1 |
p. 203-216
14 p.
|
artikel
|
| 541 |
Calculation of SNP effects in weak magnetic fields
|
Osintsev, A.M.
|
|
1993
|
1-10 |
Index 1 |
p. 237-245
9 p.
|
artikel
|
| 542 |
Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO
|
Klotz, Rainer
|
|
1984
|
1-10 |
Index 1 |
p. 223-236
14 p.
|
artikel
|
| 543 |
Calculation of the avoided level-crossing muon spin resonance response for various stochastic motions using Monte Carlo methods
|
Tregenna-Piggott, Philip L.W.
|
|
1996
|
1-10 |
Index 1 |
p. 317-337
21 p.
|
artikel
|
| 544 |
Calculation of the differential photoionization cross section of HF
|
Cacelli, Ivo
|
|
1996
|
1-10 |
Index 1 |
p. 89-98
10 p.
|
artikel
|
| 545 |
Calculation of the differential photoionization cross-section of PH3
|
Carravetta, Vincenzo
|
|
1999
|
1-10 |
Index 1 |
p. 77-87
11 p.
|
artikel
|
| 546 |
Calculation of the hyperfine spectrum for H2Ne, H2Ar, H2Kr dimers.
|
Waaijer, M.
|
|
1981
|
1-10 |
Index 1 |
p. 247-255
9 p.
|
artikel
|
| 547 |
Calculation of the lifetimes of predissociative levels of the c3IIu state in H2, HD and D2
|
Comtet, G.
|
|
1985
|
1-10 |
Index 1 |
p. 365-370
6 p.
|
artikel
|
| 548 |
Calculation of the nmr relaxation time of dilute 129 Xe gas
|
Shizgal, B.
|
|
1974
|
1-10 |
Index 1 |
p. 464-470
7 p.
|
artikel
|
| 549 |
Calculation of the total decay of ethynylbenzene and some of its deuterated derivatives
|
Friedrich, S.
|
|
1973
|
1-10 |
Index 1 |
p. 330-334
5 p.
|
artikel
|
| 550 |
Calculation of total photoabsorption cross sections of Ar, Kr, N2 and CO
1
Dedicated to Sigrid Peyerimhoff on occasion of her 60th birthday.
1
|
Stein, Nicola
|
|
1997
|
1-10 |
Index 1 |
p. 309-317
9 p.
|
artikel
|
| 551 |
Calculation of vibrational deactivation of HF(1 ⩽n ⩽ 7) by DF(0) and of DF(1 ⩽ n ⩽ 7) by HF(0)
|
Poulsen, Lise Lotte
|
|
1979
|
1-10 |
Index 1 |
p. 271-281
11 p.
|
artikel
|
| 552 |
Calculation of Zeeman splitting and Zeeman transition energies of spherical quantum dot in uniform magnetic field
|
Çakır, Bekir
|
|
2016
|
1-10 |
Index 1 |
p. 61-68
8 p.
|
artikel
|
| 553 |
Calculations of magnetic hyperfine structure constants for the low-lying rovibrational levels of LiH, HF, CH+, and BH
|
Sauer, Stephan P.A.
|
|
1995
|
1-10 |
Index 1 |
p. 405-425
21 p.
|
artikel
|
| 554 |
Calculations on the optical activity due to isotopic substitution: [1-D]- and [2-18O]-α-fenchocamphoronequinone. Relationship to the optical activity of 1-substituted α-diones
|
Dezentje, R.F.R.
|
|
1976
|
1-10 |
Index 1 |
p. 189-197
9 p.
|
artikel
|
| 555 |
Campargue-type supersonic beam sources: Absolute intensities, skimmer transmission and scaling laws for mono-atomic gases He, Ne and Ar
|
Beijerinck, H.C.W.
|
|
1985
|
1-10 |
Index 1 |
p. 153-173
21 p.
|
artikel
|
| 556 |
Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X
n
π–π complexes?
|
Vamhindi, Berthelot Saïd Duvalier Ramlina
|
|
2017
|
1-10 |
Index 1 |
p. 12-19
8 p.
|
artikel
|
| 557 |
Can different counter ions and their concentration modify the structural characteristics of aqueous solutions of uranyl ions? Atomistic insights from molecular dynamics simulations
|
Singh, Amrit Pal
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 558 |
13C anisotropic chemical shift in organic solids: Benzoic acid and derivatives, benzophenone, and thiobenzophenone
|
Kempf, J.
|
|
1974
|
1-10 |
Index 1 |
p. 269-276
8 p.
|
artikel
|
| 559 |
Can the H5 molecule be observed?
|
Kaufmann, Karl
|
|
1983
|
1-10 |
Index 1 |
p. 111-115
5 p.
|
artikel
|
| 560 |
Carbazole based D-πi-π-A dyes for DSSC applications: DFT/TDDFT study of the influence of πi-spacers on the photovoltaic performance
|
Britel, Omar
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 561 |
Carbon-13 NMR chemical shift and electronic structure of polypeptide as studied by tight-binding MO theory: poly (β-benzyl L-aspartate) with the right-handle α-helix and left-handed α-helix forms
|
Yamanobe, Takeshi
|
|
1985
|
1-10 |
Index 1 |
p. 259-264
6 p.
|
artikel
|
| 562 |
Carbon-13 nuclear magnetic resonance spin-lattice relaxation study of di-2-pyridyl dichalcogenides, Py2X2 (X = S, Se, Te)
|
Pappalardo, Giuseppe C.
|
|
1986
|
1-10 |
Index 1 |
p. 125-130
6 p.
|
artikel
|
| 563 |
Cascades of energy among the vibrational levels of diatomic molecules trapped in a rare gas matrix: With application to 12C16O(ν) in Ar
|
Manz, Jörn
|
|
1977
|
1-10 |
Index 1 |
p. 51-64
14 p.
|
artikel
|
| 564 |
CASPT2//CASSCF studies on mechanistic photophysics of 3-hydroxyflavone
|
Chang, Xue-Ping
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 565 |
Cas SCF/CI calculations on electronic states of Br2 and Br2
+
|
Balasubramanian, K.
|
|
1988
|
1-10 |
Index 1 |
p. 41-50
10 p.
|
artikel
|
| 566 |
Catalytic mechanisms and metal ion specificity of class II fructose-1,6-bisphosphatases: A QM/MM study
|
Wang, Jian
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 567 |
Catalytic performance of metal chloride for dehydrochlorination of trichloroethane
|
Ge, Xiang
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 568 |
Cation
⋯
anion bonding interactions in 1–Ethyl–3–Methylimidazolium based ionic liquids
|
Correa, Edison
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 569 |
Cationic and anionic states of CF, CCl, SiF and SiCl. Some new information derived using translational energy spectroscopy
|
Reid, C.J.
|
|
1996
|
1-10 |
Index 1 |
p. 501-511
11 p.
|
artikel
|
| 570 |
Cationic Rydberg states observed in resonantly enhanced electron spectra of CS2
|
Hedin, L.
|
|
2009
|
1-10 |
Index 1 |
p. 55-61
7 p.
|
artikel
|
| 571 |
Cationic, structural, and compositional effects on the surface structure of zeolitic aluminosilicate catalysts
|
Limtrakul, Jumras
|
|
1996
|
1-10 |
Index 1 |
p. 331-340
10 p.
|
artikel
|
| 572 |
Cavity ring-down spectroscopic study of acetaldehyde photolysis in the gas phase, on aluminum surfaces, and on ice films
|
Tang, Yongxin
|
|
2006
|
1-10 |
Index 1 |
p. 155-165
11 p.
|
artikel
|
| 573 |
Cavity ringdown spectroscopy search for transition metal dimers
|
Kraus, D.
|
|
1999
|
1-10 |
Index 1 |
p. 431-434
4 p.
|
artikel
|
| 574 |
C–Br bond rupture in 193 nm photodissociation of vinyl bromide
|
Katayanagi, Hideki
|
|
1998
|
1-10 |
Index 1 |
p. 345-353
9 p.
|
artikel
|
| 575 |
Central atom 1s photoabsorption spectra of nitrogen and phosphorus AX3 (A=N, P and X=F, H) molecules
|
Jürgensen, Astrid
|
|
2001
|
1-10 |
Index 1 |
p. 77-89
13 p.
|
artikel
|
| 576 |
Central peak near the incommensurate displacive phase transition of BCPS
|
Ollivier, J.
|
|
2003
|
1-10 |
Index 1 |
p. 171-183
13 p.
|
artikel
|
| 577 |
Centrifugal distortion analysis for the bent isomer of N2OHF
|
Kukolich, S.G.
|
|
1989
|
1-10 |
Index 1 |
p. 403-408
6 p.
|
artikel
|
| 578 |
Centrifugal-sudden hyperspherical study of Cl + HCl → ClH + Cl reaction dynamics on ‘tight-bend’ and ‘loose-bend’ potential energy surfaces
|
Sokolovski, D.
|
|
1996
|
1-10 |
Index 1 |
p. 461-476
16 p.
|
artikel
|
| 579 |
CeO2 nanosheets for high performance aqueous battery systems
|
Zhu, Fenghua
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 580 |
Chain-length dependence of the optical properties of a series of push–pull polyenes: application to doped photorefractive polymers
|
Fort, A
|
|
1999
|
1-10 |
Index 1 |
p. 115-121
7 p.
|
artikel
|
| 581 |
Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering
|
Osti, N.C.
|
|
2016
|
1-10 |
Index 1 |
p. 1-8
8 p.
|
artikel
|
| 582 |
Characteristics of a positronium bound state with nitrobenzene in methanol as deduced from magnetic field effects at various temperatures
|
Duplâtre, G.
|
|
1994
|
1-10 |
Index 1 |
p. 371-377
7 p.
|
artikel
|
| 583 |
Characterization of competing halogen-bonding and hydrogen-bonding motifs in the acetonitrile/hydrogen iodide dimer
|
Perkins, Morgan A.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 584 |
Characterization of infrared vibrational activity in specific totally symmetric bridging modes of mixed-valence systems near the localized-to-delocalized transition
|
Rocha, Reginaldo C.
|
|
2006
|
1-10 |
Index 1 |
p. 24-32
9 p.
|
artikel
|
| 585 |
Characterization of the mercaptobenzothiazole bonding on cadmiumsulfide by MO interpretation of N K XANES results
|
Flemmig, Beate
|
|
2002
|
1-10 |
Index 1 |
p. 117-123
7 p.
|
artikel
|
| 586 |
Characterization of the protolysis equilibria of 1-naphthoylhydrazide and of its oxidation mechanism by hexachloroiridate(IV) in aqueous solution
|
Jiang, Chen
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 587 |
Characterization of Tl-rare gas complexes and comparison with other group 3A metal complexes
|
Stangassinger, A.
|
|
1993
|
1-10 |
Index 1 |
p. 533-546
14 p.
|
artikel
|
| 588 |
Characterization the performances of twofold resveratrol integrated compounds in binding with SIRT1 by molecular dynamics simulation and molecular mechanics/generalized born surface area (MM/GBSA) calculation
|
Shi, Shanshan
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 589 |
Charge carrier transport in high purity perylene single crystal studied by time-of-flight measurements and through field effect transistor characteristics
|
Kotani, Masahiro
|
|
2006
|
1-10 |
Index 1 |
p. 160-169
10 p.
|
artikel
|
| 590 |
Charged FeC
n
clusters: A comparison with
TMC
n
+
/
TMC
n
-
(TM=Sc, Ti, V, Co and Zn, n
=1–8) systems
|
Redondo, Pilar
|
|
2009
|
1-10 |
Index 1 |
p. 1-13
13 p.
|
artikel
|
| 591 |
Charged Frenkel excitons in organic crystals
|
Agranovich, V.M.
|
|
2001
|
1-10 |
Index 1 |
p. 159-169
11 p.
|
artikel
|
| 592 |
Charge inversion of ground-state and metastable-state C2
+ cations formed from electroionised C2H2 and C2N2, and a re-evaluation of the carbon dimer's ionisation energy
|
Reid, C.J.
|
|
1995
|
1-10 |
Index 1 |
p. 113-122
10 p.
|
artikel
|
| 593 |
Charge redistribution and polarization effects on the solvation energy of ions
|
Raudino, Antonio
|
|
1985
|
1-10 |
Index 1 |
p. 263-270
8 p.
|
artikel
|
| 594 |
Charge separation reactions of the CF2+ and CCl2+ dications
|
Curtis, J.M.
|
|
1987
|
1-10 |
Index 1 |
p. 241-248
8 p.
|
artikel
|
| 595 |
Charge transfer and atomic rearrangement in collisions of
Ar
+(2
P
1
2
,
3
2
) with H2 measured with a new PEPICO apparatus
|
Uiterwaal, C.J.G.J.
|
|
1996
|
1-10 |
Index 1 |
p. 195-203
9 p.
|
artikel
|
| 596 |
Charge transfer initiated by optical excitation in diester substituted biphenylpyrene as a function of the solvent characterized by excited state absorption spectroscopy
|
von Seggern, David
|
|
2004
|
1-10 |
Index 1 |
p. 193-202
10 p.
|
artikel
|
| 597 |
Charge transfer of krypton ions with methane molecules from thermal energy to 10 eV
|
Tosi, Paolo
|
|
1996
|
1-10 |
Index 1 |
p. 227-233
7 p.
|
artikel
|
| 598 |
Charge transfer states of C2 in Kr clusters
|
Fiedler, S.
|
|
2004
|
1-10 |
Index 1 |
p. 91-95
5 p.
|
artikel
|
| 599 |
Charge transfer to a solvent state. VIII. Localization of charge during the transition state of the solute: The solute cation localization energy
|
Truong, Thu Ba
|
|
1983
|
1-10 |
Index 1 |
p. 377-390
14 p.
|
artikel
|
| 600 |
Charge transfer transitions in solid tetracene and pentacene studied by electroabsorption
|
Sebastian, L.
|
|
1981
|
1-10 |
Index 1 |
p. 125-135
11 p.
|
artikel
|
| 601 |
Charge transport in molecularly doped polymers at low dopant concentrations: simulation and experiment
|
Hartenstein, B.
|
|
1995
|
1-10 |
Index 1 |
p. 321-332
12 p.
|
artikel
|
| 602 |
Chemical bonding in metal sandwich molecules M
n
R2 with R=pyrene C16H10 and tetracene C18H12
|
Philpott, Michael R.
|
|
2007
|
1-10 |
Index 1 |
p. 55-67
13 p.
|
artikel
|
| 603 |
Chemical effects of low energy electron impact on hydrocarbons in the gas phase
|
Derai, R.
|
|
1976
|
1-10 |
Index 1 |
p. 331-344
14 p.
|
artikel
|
| 604 |
Chemically induced dynamic nuclear polarizations (CIDNP) and kinetic studies of the decomposition of di-t-butylmagnesium, -zinc, and -mercury
|
Benn, Reinhard
|
|
1976
|
1-10 |
Index 1 |
p. 369-376
8 p.
|
artikel
|
| 605 |
Chemical metastability loss and molecular dynamics by dielectric relaxations during the catalytic polymerization of a diepoxide
|
Wasylyshyn, D.A.
|
|
1997
|
1-10 |
Index 1 |
p. 313-322
10 p.
|
artikel
|
| 606 |
Chemi-ionization in alkali—heteronuclear halogen collisions: Role of excited molecular ion states
|
Auerbach, D.J.
|
|
1973
|
1-10 |
Index 1 |
p. 107-118
12 p.
|
artikel
|
| 607 |
Chemiluminescence study of methane—fluorine combustion: Observation and analysis of HCF
A
1A″-
X
1A′
|
Patel, Rajendra I.
|
|
1980
|
1-10 |
Index 1 |
p. 461-468
8 p.
|
artikel
|
| 608 |
Chemiluminescent spectra of C2*(d 3Πg-a 3Πu) and deactivation of the C2* d 3Πg state in Na vapor
|
Xiuyon, Wang
|
|
1981
|
1-10 |
Index 1 |
p. 25-33
9 p.
|
artikel
|
| 609 |
Chemisorption of aluminium and chlorine on the Si(111) surface. An ab initio study of the nature of the interaction
|
Bo, C.
|
|
1994
|
1-10 |
Index 1 |
p. 63-71
9 p.
|
artikel
|
| 610 |
Chemistry of vibronic coupling. Part 1: How to maximize vibronic coupling constants in a diabatic harmonic potential model?
|
Grochala, Wojciech
|
|
2001
|
1-10 |
Index 1 |
p. 153-163
11 p.
|
artikel
|
| 611 |
Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study
|
Campetella, M.
|
|
2016
|
1-10 |
Index 1 |
p. 24-31
8 p.
|
artikel
|
| 612 |
CIDEP and kinetics of 1,4-naphthosemiquinone radicals during photoreduction
|
Frydkjaer, S.
|
|
1980
|
1-10 |
Index 1 |
p. 335-342
8 p.
|
artikel
|
| 613 |
CIDNP of radical-ion pairs in arbitrary magnetic fields
|
Korelenko, E.C.
|
|
1987
|
1-10 |
Index 1 |
p. 45-52
8 p.
|
artikel
|
| 614 |
Circular dichroism of oriented molecules. Magnetic dipole and electric quadrupole contribution to the ACD of chirally substituted diaminoanthraquinones
|
Kuball, H.-G.
|
|
1993
|
1-10 |
Index 1 |
p. 335-350
16 p.
|
artikel
|
| 615 |
Circular dichroism of (1S,4R)-norcamphor and its methyl derivatives. Theoretical calculation of solvent effects and vibronic coupling perturbations
|
Ruiz-Lopez, M.F.
|
|
1986
|
1-10 |
Index 1 |
p. 403-414
12 p.
|
artikel
|
| 616 |
Circularly polarized Raman spectra of IrCl6
2− and FeBr4
−: Spin—orbit induced antisymmetry
|
Stein, Paul
|
|
1977
|
1-10 |
Index 1 |
p. 237-244
8 p.
|
artikel
|
| 617 |
Circulations reactions. IV. Applicability of phenomenological reaction rate constants: A stochastic approach
|
Zubkov, A.V.
|
|
1982
|
1-10 |
Index 1 |
p. 157-160
4 p.
|
artikel
|
| 618 |
Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H2
|
Clarke, Nick J.
|
|
1998
|
1-10 |
Index 1 |
p. 9-27
19 p.
|
artikel
|
| 619 |
Classical dynamics of the 1:1, 1:2 and 1:3 resonance Hamiltonians
|
Joyeux, Marc
|
|
1996
|
1-10 |
Index 1 |
p. 281-307
27 p.
|
artikel
|
| 620 |
Classical path sudden approximations for atom—rigid rotor collisions
|
Nyeland, Carl
|
|
1981
|
1-10 |
Index 1 |
p. 359-367
9 p.
|
artikel
|
| 621 |
Classical solvent dynamics in electron transfer reactions
|
Helman, A.B.
|
|
1989
|
1-10 |
Index 1 |
p. 271-280
10 p.
|
artikel
|
| 622 |
Classical trajectory study of rotational excitation of HD by collisions with He
|
Gelb, A.
|
|
1978
|
1-10 |
Index 1 |
p. 245-249
5 p.
|
artikel
|
| 623 |
Classical trajectory study of rotationally inelastic scattering of two HF molecules
|
Alper, Joseph S.
|
|
1978
|
1-10 |
Index 1 |
p. 471-479
9 p.
|
artikel
|
| 624 |
Classical trajectory study of three-body direct photofragmentation of Cd(CH3)2. Comparison of sampling methods
|
Pattengill, M.D.
|
|
1983
|
1-10 |
Index 1 |
p. 59-66
8 p.
|
artikel
|
| 625 |
Classical trajectory treatment of diatomic molecules reacting with solid surfaces: a study of mass effects
|
Ron, Shlomo
|
|
1986
|
1-10 |
Index 1 |
p. 45-54
10 p.
|
artikel
|
| 626 |
Classical transition state theory for the ion—linear quadrupole capture
|
Turulski, Jan
|
|
1992
|
1-10 |
Index 1 |
p. 115-121
7 p.
|
artikel
|
| 627 |
Cl+HD reaction dynamics from quasiclassical trajectory calculation on a new ab initio potential energy surface
|
Shen, Changsheng
|
|
2001
|
1-10 |
Index 1 |
p. 61-68
8 p.
|
artikel
|
| 628 |
Close coupled, energy sudden, distorted wave-energy sudden and quasiclassical trajectory study of a model H2-uncorrugated surface scattering system
|
Fitz, D.E.
|
|
1981
|
1-10 |
Index 1 |
p. 257-268
12 p.
|
artikel
|
| 629 |
Close-coupling elastic and inelastic integral and differential cross sections for Li+ + H2 collisions
|
McGuire, Paul
|
|
1974
|
1-10 |
Index 1 |
p. 249-258
10 p.
|
artikel
|
| 630 |
Close-coupling methods applied to the calculation of bound-free bidimensional nonseparable Franck-Condon factors
|
Atabek, O.
|
|
1977
|
1-10 |
Index 1 |
p. 51-59
9 p.
|
artikel
|
| 631 |
Clustering phenomena in adhesive hard sphere fluids. Theory of freezing
|
Barboy, B.
|
|
1978
|
1-10 |
Index 1 |
p. 231-252
22 p.
|
artikel
|
| 632 |
Cluster structure in model electrolyte solutions
|
Abascal, J.L.F.
|
|
1991
|
1-10 |
Index 1 |
p. 79-89
11 p.
|
artikel
|
| 633 |
C-13 magnetic relaxation rates and H-1 and C-13 paramagnetic shifts of Ni(II) complex of dopamine
|
Lai, A.
|
|
1982
|
1-10 |
Index 1 |
p. 271-277
7 p.
|
artikel
|
| 634 |
13C NMR of molecules partially aligned by an electric field: A new method for determining the orientation of the dipole moment
|
Plantenga, T.M.
|
|
1980
|
1-10 |
Index 1 |
p. 359-368
10 p.
|
artikel
|
| 635 |
13C NMR relaxation in neutral and charged tetra-n-alkyl compounds
|
Bordes, B
|
|
1998
|
1-10 |
Index 1 |
p. 51-63
13 p.
|
artikel
|
| 636 |
13C NMR relaxation time measurements of macrocyclic ether complexes. Part XII: the association constants of benzo[15]crown-5 and benzo[12]crown-4 with NaClO4
·H2O
|
Erk, Çakıl
|
|
2004
|
1-10 |
Index 1 |
p. 115-120
6 p.
|
artikel
|
| 637 |
Cobalt clusters (Co
n
, n
⩽6) and their anions
|
Sebetci, Ali
|
|
2008
|
1-10 |
Index 1 |
p. 196-201
6 p.
|
artikel
|
| 638 |
Coherence effects in the anisotropy of optical experiments
|
Wynne, Klaas
|
|
1993
|
1-10 |
Index 1 |
p. 179-188
10 p.
|
artikel
|
| 639 |
Coherence transfer processes in vibrational relaxation of polyatomic molecules in condensed media
|
Freed, Karl F.
|
|
1979
|
1-10 |
Index 1 |
p. 51-64
14 p.
|
artikel
|
| 640 |
Coherent amplification in fluorescent dye solutions. II. The inverse pre-resonance Raman spectrum of rhodamine 6G
|
Baran, Jan
|
|
1984
|
1-10 |
Index 1 |
p. 321-329
9 p.
|
artikel
|
| 641 |
Coherent state versus localized state quantum dynamics of isomerization reactions
|
Russegger, Peter
|
|
1982
|
1-10 |
Index 1 |
p. 161-166
6 p.
|
artikel
|
| 642 |
Coherent surface fluorescence versus thermally activated energy transfer to the bulk in the anthracene crystal: Model calculations and some experimental results
|
David, Lionel
|
|
1989
|
1-10 |
Index 1 |
p. 31-39
9 p.
|
artikel
|
| 643 |
Coherent wavepacket motion in an ultrafast electron transfer system monitored by femtosecond degenerate four-wave-mixing and pump–probe spectroscopy
|
Nagasawa, Yutaka
|
|
2014
|
1-10 |
Index 1 |
p. 68-76
9 p.
|
artikel
|
| 644 |
Coincidence photoelectron and Auger-electron spectral behaviors of Auger cascade decay
|
Ohno
, Masahide
|
|
2012
|
1-10 |
Index 1 |
p. 137-147
11 p.
|
artikel
|
| 645 |
C2O(Ã 3Π
i
↔-~X3Σ−: laser induced excitation and fluorescence spectra
|
Pitts, W.M.
|
|
1981
|
1-10 |
Index 1 |
p. 451-464
14 p.
|
artikel
|
| 646 |
Collinear collisions in a well potential
|
Schlier, Christoph G.
|
|
1983
|
1-10 |
Index 1 |
p. 267-275
9 p.
|
artikel
|
| 647 |
Collinear recrossing corrections to rate constants for diatom dissociation and recombination
|
Snider, Neil
|
|
1987
|
1-10 |
Index 1 |
p. 349-356
8 p.
|
artikel
|
| 648 |
Collisional and radiational energy transfer in the system Na* (3 2P) + Na2 (X 1Σ+) → Na (3 2S) + Na2
* (A 1Σ+)
|
Arrowsmith, P.
|
|
1983
|
1-10 |
Index 1 |
p. 31-40
10 p.
|
artikel
|
| 649 |
Collisional deactivation of highly vibrationally excited hexafluorobenzene molecules
|
Ichimura, Teijiro
|
|
1987
|
1-10 |
Index 1 |
p. 111-116
6 p.
|
artikel
|
| 650 |
Collisional deactivation of N2(C
3Π
u
, v=0, 1, 2, 3) states by N2, O2, H2 and H2O molecules
|
Pancheshnyi, S.V.
|
|
2000
|
1-10 |
Index 1 |
p. 349-357
9 p.
|
artikel
|
| 651 |
Collisional deactivation rates for A 2Σ+ (ν′ = 1) state of OH
|
Burris, John
|
|
1988
|
1-10 |
Index 1 |
p. 251-258
8 p.
|
artikel
|
| 652 |
Collisional depolarization and rotational energy transfer of the 7Li2(B1IIu)—Li(2S
1
2
) system from laser-induced fluorescence
|
Vidal, C.R.
|
|
1978
|
1-10 |
Index 1 |
p. 215-226
12 p.
|
artikel
|
| 653 |
Collisional dissociation of CH2Br+
2 in selected internal energy states
|
Baer, Tomas
|
|
1974
|
1-10 |
Index 1 |
p. 325-330
6 p.
|
artikel
|
| 654 |
Collisional dissociation of salt-cluster dianions
|
Mirsaleh-Kohan, N.
|
|
2006
|
1-10 |
Index 1 |
p. 239-245
7 p.
|
artikel
|
| 655 |
Collisional energy transfer to methane by octupole coupliing
|
Lawley, K.P.
|
|
1978
|
1-10 |
Index 1 |
p. 39-46
8 p.
|
artikel
|
| 656 |
Collisional excitation of vibrations in H2 + H, D encounters using rotational averaging
|
Gianturco, F.A.
|
|
1977
|
1-10 |
Index 1 |
p. 401-407
7 p.
|
artikel
|
| 657 |
Collisional nature of the magnetic field quenching of the acetylene
A
̃
1
A
u
state
|
Makarov, Vladimir I.
|
|
2001
|
1-10 |
Index 1 |
p. 101-110
10 p.
|
artikel
|
| 658 |
Collisional perturbation of quantum regular and irregular intramolecular states: State-to-state study of a model
|
Nalewajski, Roman F.
|
|
1984
|
1-10 |
Index 1 |
p. 385-402
18 p.
|
artikel
|
| 659 |
Collisional quantum interference on rotational energy transfer: physical interpretation of the interference angle
|
Sun, Mengtao
|
|
2001
|
1-10 |
Index 1 |
p. 175-186
12 p.
|
artikel
|
| 660 |
Collisional relaxation of singlet O2
(b
1
Σ
+
g
) in neat gas investigated by laser-induced grating technique
|
Hemmerling, B.
|
|
2003
|
1-10 |
Index 1 |
p. 213-242
30 p.
|
artikel
|
| 661 |
Collisional relaxation of transient vibrational energy distributions in a thermal unimolecular system. The variable encounter method
|
Kelley, D.F.
|
|
1980
|
1-10 |
Index 1 |
p. 379-391
13 p.
|
artikel
|
| 662 |
Collisional state-changing of OH− rotations by interaction with Rb atoms in cold traps
|
González-Sánchez, L.
|
|
2015
|
1-10 |
Index 1 |
p. 111-118
8 p.
|
artikel
|
| 663 |
Collisional vibrational excitation of lithium hydride
|
Dagdigian, Paul J.
|
|
1980
|
1-10 |
Index 1 |
p. 279-285
7 p.
|
artikel
|
| 664 |
Collision dynamics and surface wetting of nano-scale polymer particles on substrates
1
Research sponsored by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract DE-AC05-96OR22464 with Lockheed Martin Energy Research.
1
|
Fukui, Kazuhiko
|
|
1999
|
1-10 |
Index 1 |
p. 339-349
11 p.
|
artikel
|
| 665 |
Collision dynamics of excited NaK. II. Rotationally inelastic energy transfer
|
McCormack, J.
|
|
1980
|
1-10 |
Index 1 |
p. 405-416
12 p.
|
artikel
|
| 666 |
Collision dynamics of excited NaK. I. Reactive KNaK and elastic HeNaK collisions
|
McCormack, J.
|
|
1980
|
1-10 |
Index 1 |
p. 121-130
10 p.
|
artikel
|
| 667 |
Collision-induced dissociation of dye-laser excited Li2(A 1Σ+
u)
|
Ennen, G.
|
|
1979
|
1-10 |
Index 1 |
p. 415-421
7 p.
|
artikel
|
| 668 |
Collision-induced electronic transitions in complexes between benzene and molecular oxygen
|
Minaev, Boris F.
|
|
1997
|
1-10 |
Index 1 |
p. 79-94
16 p.
|
artikel
|
| 669 |
Collision-induced emission of O2 (a 1Δg → X 3Σg
−) in the gas phase
|
Wildt, J.
|
|
1992
|
1-10 |
Index 1 |
p. 127-140
14 p.
|
artikel
|
| 670 |
Collision-induced intersystem crossing in a weak magnetic field. The saturation effect in propynal
|
Brūhlmann, U.
|
|
1985
|
1-10 |
Index 1 |
p. 273-280
8 p.
|
artikel
|
| 671 |
Collision rotational transfers in NaH A1Σ+ by He, Ar or H2 (and in KH A1Σ+ by H2)
|
Giroud, M.
|
|
1985
|
1-10 |
Index 1 |
p. 127-135
9 p.
|
artikel
|
| 672 |
Collision transfers between CdH A 2Πυ′ = 0 rotational states induced by He or Ar
|
Dufayard, J.
|
|
1982
|
1-10 |
Index 1 |
p. 279-288
10 p.
|
artikel
|
| 673 |
Colloidal structure and properties of bovine serum globulin aqueous systems using SAXS and rheological measurements
|
Matsumoto, Takayoshi
|
|
1996
|
1-10 |
Index 1 |
p. 167-172
6 p.
|
artikel
|
| 674 |
Colorimetric chemical sensing properties of 3-amino-4-hydroxybenzenesulfonic acid-based Schiff bases containing electron donor–acceptor groups
|
Yildiz, Elif Akhuseyin
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 675 |
Combined effect of weak electric field and ions on critical water cluster: Insight from molecular dynamics simulation
|
Zhang, Ming
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 676 |
Combined rotationally sudden and vibrationally exact quantum treatment of proton-H2 collisions
|
Schinke, R.
|
|
1978
|
1-10 |
Index 1 |
p. 391-412
22 p.
|
artikel
|
| 677 |
Combining transition state calculations with quasiclassical trajectory calculations
|
Frost, Robert J.
|
|
1987
|
1-10 |
Index 1 |
p. 389-400
12 p.
|
artikel
|
| 678 |
Combining transition state theory with quasiclassical trajectory calculations. III. Applications to the three-dimensional H + H2(ν) reaction
|
Frost, Robert J.
|
|
1987
|
1-10 |
Index 1 |
p. 421-438
18 p.
|
artikel
|
| 679 |
Comment on “laser-induced fluorescence of N2(X 1Σ+
g and electron-impact excited N2
+ (X 2Σ+
g in a pulsed supersonic beam: Rotational distributions”, by H. Helvajian, B.M. Dekoven and A.P. Baronavski
|
Dagdigian, P.J.
|
|
1986
|
1-10 |
Index 1 |
p. 355-356
2 p.
|
artikel
|
| 680 |
Comment on “Theoretical study of interstellar hydroxylamine chemistry: protonation and proton transfer mediated by H3
+’’ [Chem. Phys. 244 (1999) 163–174]
|
Cacace, Fulvio
|
|
2000
|
1-10 |
Index 1 |
p. 389-390
2 p.
|
artikel
|
| 681 |
Common features in slow electron scattering by methane and the heavier noble gases
|
Freeman, Gordon R.
|
|
1993
|
1-10 |
Index 1 |
p. 451-455
5 p.
|
artikel
|
| 682 |
Comparative absorption, electroabsorption and electrochemical studies of intervalence electron transfer and electronic coupling in cyanide-bridged bimetallic systems: ancillary ligand effects
|
Vance, Fredrick W.
|
|
2000
|
1-10 |
Index 1 |
p. 313-322
10 p.
|
artikel
|
| 683 |
Comparative study of the photodynamics of malonaldehyde and acetylacetone
|
Sapunar, Marin
|
|
2018
|
1-10 |
Index 1 |
p. 622-627
|
artikel
|
| 684 |
Comparative study on model parameter evaluations for the energy transfer dynamics in Fenna–Matthews–Olson complex
|
Suzuki, Yosuke
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 685 |
Comparing theoretical and experimental backbone-dependent sidechain conformational preferences for linear, branched, aromatic and polar residues
|
Marcus, Emil
|
|
1996
|
1-10 |
Index 1 |
p. 157-171
15 p.
|
artikel
|
| 686 |
Comparison of classical mechanics and the coupled states approximation for Li+-CO scattering on an ab initio calculated CI potential energy surface
|
Thomas, L.D.
|
|
1978
|
1-10 |
Index 1 |
p. 237-243
7 p.
|
artikel
|
| 687 |
Comparison of close-coupling and approximate methods for F(2P
1
2
) + H2 non-reactive collisions: Translational wavefunction analysis
|
Mcnutt, Joe F.
|
|
1981
|
1-10 |
Index 1 |
p. 423-434
12 p.
|
artikel
|
| 688 |
Comparison of high-level post-Hartree–Fock and DFT methods on the calculation of interaction-induced electric properties of Kr–He
|
Xenides, Demetrios
|
|
2011
|
1-10 |
Index 1 |
p. 80-87
8 p.
|
artikel
|
| 689 |
Comparison of noncovalent interactions of zigzag and armchair carbon nanotubes with heterocyclic and aromatic compounds: Imidazole and benzene, imidazophenazines, and tetracene
|
Zarudnev, Eugene S.
|
|
2017
|
1-10 |
Index 1 |
p. 68-77
10 p.
|
artikel
|
| 690 |
Comparison of photon-stimulated dissociation of gas-phase, solid and chemisorbed water
|
Ramaker, David E.
|
|
1983
|
1-10 |
Index 1 |
p. 183-202
20 p.
|
artikel
|
| 691 |
Comparison of quantum mechanical and semiclassical cross sections and rate constants for vibrational relaxation of N2 and CO colliding with 4He
|
Billing, Gert Due
|
|
1986
|
1-10 |
Index 1 |
p. 39-46
8 p.
|
artikel
|
| 692 |
Comparisons of perturbation and integral equation theories for the angular pair correlation function in molecular fluids
|
Murad, S.
|
|
1983
|
1-10 |
Index 1 |
p. 87-98
12 p.
|
artikel
|
| 693 |
Competing intramolecular NH
⋯
OC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoretical methods
|
Saeed, Aamer
|
|
2014
|
1-10 |
Index 1 |
p. 39-46
8 p.
|
artikel
|
| 694 |
Competitive collisional activation in vibrational energy transfer with cyclopropane-1t
1-2,2d
2. A three-channel system
|
Krongauz, V.V.
|
|
1982
|
1-10 |
Index 1 |
p. 201-212
12 p.
|
artikel
|
| 695 |
Complete spectra of the delayed luminescence from aromatic compounds in liquid solutions: On the observability of direct radiative triplet-triplet annihilation
|
Nickel, Bernhard
|
|
1990
|
1-10 |
Index 1 |
p. 155-182
28 p.
|
artikel
|
| 696 |
Complete vibrational spectrum of NiCO isolated in solid argon
|
Joly, H.A.
|
|
1998
|
1-10 |
Index 1 |
p. 61-70
10 p.
|
artikel
|
| 697 |
Complexes of spiropyran-derived merocyanines with metal ions: relaxation kinetics, photochemistry and solvent effects
|
Chibisov, Alexander K.
|
|
1998
|
1-10 |
Index 1 |
p. 425-442
18 p.
|
artikel
|
| 698 |
Complex formation in proton-hydrogen collisions. II. Isotope effects
|
Schlier, Christoph G.
|
|
1987
|
1-10 |
Index 1 |
p. 211-221
11 p.
|
artikel
|
| 699 |
Complex Franck—Condon overlap integral in nonradiative decays
|
Fujimura, Yuichi
|
|
1979
|
1-10 |
Index 1 |
p. 89-96
8 p.
|
artikel
|
| 700 |
Complex nonexponential relaxation in myoglobin after photodissociation of MbCO: measurement and analysis from 2 ps to 56 υs
|
Jackson, Timothy A.
|
|
1994
|
1-10 |
Index 1 |
p. 131-140
10 p.
|
artikel
|
| 701 |
Complicated Fermi-type vibronic resonance: Untangling of the single-site quasi-line fluorescence excitation spectra of a methylated dibenzoporphin
|
Arabei, S.M.
|
|
2008
|
1-10 |
Index 1 |
p. 197-204
8 p.
|
artikel
|
| 702 |
Comprehensive analysis of structural, electronic, optical, and thermoelectric properties of X2PtCl6 (X = K, Cs, Rb): A first-principles DFT study
|
Ahmed, Fahim
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 703 |
Compromize orbital calculations by an improved MC-GBT approach. Core excited states of HF
|
Chang, T.C.
|
|
1985
|
1-10 |
Index 1 |
p. 405-418
14 p.
|
artikel
|
| 704 |
Computational insight into pnictogen bonds in the self-assembly of caged pnictogen compounds
|
Tian, Ye
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 705 |
Computational investigation of electronic, thermoelectric, and optical properties in Cs2Li
B
i
X
6
(X = Br, I) for energy harvesting applications
|
Rafiq, Qaiser
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 706 |
Computational studies of 4-nitrophenyl- and 2-benzothiazolyl-substituted formazans and tetrazolium salts
|
Penev, Kalin I.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 707 |
Computational studies of one-electron properties of lithium hydride in confinement
|
Lo, J.M.H.
|
|
2006
|
1-10 |
Index 1 |
p. 132-138
7 p.
|
artikel
|
| 708 |
Computational study of keto–enol equilibria of tropolone in gas and aqueous solution phase
|
Paine, S.W.
|
|
2006
|
1-10 |
Index 1 |
p. 61-66
6 p.
|
artikel
|
| 709 |
Computational study of the electronic structures and photocatalytic water splitting performances of Janus aluminium chalcogenide monolayers
|
Li, Chao
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 710 |
Computational study on the O- and Cl-loss dissociations of ClOO
|
Meng, Qingyong
|
|
|
1-10 |
Index 1 |
p. 206-212
|
artikel
|
| 711 |
Computation of time-dependent transition probabilities in excimer molecules induced by femtosecond laser pulses
|
Petsalakis, Ioannis D.
|
|
1994
|
1-10 |
Index 1 |
p. 615-628
14 p.
|
artikel
|
| 712 |
Computations on nineteen isolated-pentagon-rule isomers of C86
|
Slanina, Zdeněk
|
|
1996
|
1-10 |
Index 1 |
p. 13-18
6 p.
|
artikel
|
| 713 |
Computed potential hypersurface (including electron correlation) of the system Li+/H2
|
Kutzelnigg, W.
|
|
1973
|
1-10 |
Index 1 |
p. 27-44
18 p.
|
artikel
|
| 714 |
Computed static potentials for AH
n
molecules: a scattering-orintated form
|
Gianturco, F.A.
|
|
1976
|
1-10 |
Index 1 |
p. 111-120
10 p.
|
artikel
|
| 715 |
Computer simulation of a lattice model of nematic liquid crystal
|
Meirovitch, Hagai
|
|
1977
|
1-10 |
Index 1 |
p. 251-256
6 p.
|
artikel
|
| 716 |
Computer simulation of the pulsed Cl + HBr chemical laser: Effects of rotational nonequilibrium
|
Keren, E.
|
|
1977
|
1-10 |
Index 1 |
p. 1-19
19 p.
|
artikel
|
| 717 |
Concentration and temperature dependence of electronic and vibrational energy relaxation of O2 in liquid mixtures
|
Faltermeier, B.
|
|
1981
|
1-10 |
Index 1 |
p. 377-385
9 p.
|
artikel
|
| 718 |
Concentration-modulated absorption spectroscopy. II. temporal variation of gain
|
Beaman, R.A.
|
|
1986
|
1-10 |
Index 1 |
p. 127-132
6 p.
|
artikel
|
| 719 |
Concepts and problems in protein dynamics
|
Fenimore, Paul W.
|
|
2013
|
1-10 |
Index 1 |
p. 2-6
5 p.
|
artikel
|
| 720 |
Concerning the scaling behavior in the classical mechanics of non-reactive collisions: an analytic investigation
|
DePristo, Andrew E.
|
|
1981
|
1-10 |
Index 1 |
p. 129-140
12 p.
|
artikel
|
| 721 |
Concurrent photodissociation and multiphoton ionization processes in CH3I from 266–307 nm
|
Jiang, Yifeng
|
|
1986
|
1-10 |
Index 1 |
p. 171-178
8 p.
|
artikel
|
| 722 |
Condensation effects in K-shell excitation and de-excitation of solid neon
|
Romberg, R
|
|
2003
|
1-10 |
Index 1 |
p. 69-79
11 p.
|
artikel
|
| 723 |
Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations
|
Sumi, Hitoshi
|
|
1996
|
1-10 |
Index 1 |
p. 9-27
19 p.
|
artikel
|
| 724 |
Configuration interaction oscillator strengths of the H2O molecule: Transitions from the ground to the
B
∼
1
A
1
,
C
∼
1
B
1
,
D
∼
1
A
1
,
and 11B2 excited states
|
Borges Jr., Itamar
|
|
2006
|
1-10 |
Index 1 |
p. 284-290
7 p.
|
artikel
|
| 725 |
Configuration interaction study of the excited states of CO adsorbed on a Pt97 cluster
|
Buenker, R.J.
|
|
2003
|
1-10 |
Index 1 |
p. 115-124
10 p.
|
artikel
|
| 726 |
Configuration mixings and line intensities in CdH and HgH A 2Π-X 2Σ+ transitions
|
Nedelec, O.
|
|
1989
|
1-10 |
Index 1 |
p. 137-148
12 p.
|
artikel
|
| 727 |
Conformational analysis of 2-chloro-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane by molecular dynamics method. Vibrational dephasing and interaction-induced ir absorption
|
Abramczyk, Halina
|
|
1988
|
1-10 |
Index 1 |
p. 317-326
10 p.
|
artikel
|
| 728 |
Conformational analysis of some ortho-hydroxyazoic dyes by the PCILO method
|
Jacques, Patrice
|
|
1977
|
1-10 |
Index 1 |
p. 301-308
8 p.
|
artikel
|
| 729 |
Conformational dependence of the quadratic hyperpolarisabilities of a series of push-pull stilbenes: characterisation and investigation of empirical correlations
|
Barzoukas, M.
|
|
1992
|
1-10 |
Index 1 |
p. 395-406
12 p.
|
artikel
|
| 730 |
Conformational effects in the absorption spectra and photochemistry of [2,n](9,10)anthracenophanes (n = 2,3)
|
Dunand, Albert
|
|
1980
|
1-10 |
Index 1 |
p. 225-234
10 p.
|
artikel
|
| 731 |
Conformational energetics in hydrogen-bonded dimers. The unobserved COHF complex
|
Benzel, Mark A.
|
|
1983
|
1-10 |
Index 1 |
p. 273-278
6 p.
|
artikel
|
| 732 |
Conformational stability, barriers to internal rotation and vibrational assignments of fluoroacetyl bromide
|
Durig, J.R.
|
|
1989
|
1-10 |
Index 1 |
p. 391-403
13 p.
|
artikel
|
| 733 |
Conformation transition in the protein of a photosynthetic reaction center observed at the nanometer range of distances at cryogenic temperatures
|
Borovykh, I.V.
|
|
2003
|
1-10 |
Index 1 |
p. 433-438
6 p.
|
artikel
|
| 734 |
Conical intersections between
X
2
A
1
and
A
2
B
2
electronic states of
NO
2
|
Sardar
, Subhankar
|
|
2013
|
1-10 |
Index 1 |
p. 11-20
10 p.
|
artikel
|
| 735 |
Conical intersections induced by repulsive 1πσ* states in planar organic molecules: malonaldehyde, pyrrole and chlorobenzene as photochemical model systems
|
Sobolewski, Andrzej L
|
|
2000
|
1-10 |
Index 1 |
p. 181-191
11 p.
|
artikel
|
| 736 |
Conical intersections involving the lowest 1
πσ
∗ state in aniline: Role of the NH2 group
|
Ray, Jyotirmoy
|
|
2018
|
1-10 |
Index 1 |
p. 77-87
|
artikel
|
| 737 |
Conical intersections, pseudorotation and coherent oscillations in ultrafast photodissociation of group-6 metal hexacarbonyls
|
Trushin, S.A
|
|
2000
|
1-10 |
Index 1 |
p. 313-330
18 p.
|
artikel
|
| 738 |
Contents
|
|
|
2010
|
1-10 |
Index 1 |
p. iii-viii
nvt p.
|
artikel
|
| 739 |
Contents
|
|
|
2014
|
1-10 |
Index 1 |
p. iii-vi
nvt p.
|
artikel
|
| 740 |
Contents
|
|
|
2016
|
1-10 |
Index 1 |
p. iii-v
nvt p.
|
artikel
|
| 741 |
Contents
|
|
|
2015
|
1-10 |
Index 1 |
p. iii-vii
nvt p.
|
artikel
|
| 742 |
Contents
|
|
|
|
1-10 |
Index 1 |
p. iii-vi
|
artikel
|
| 743 |
Contents
|
|
|
2015
|
1-10 |
Index 1 |
p. iii-vi
nvt p.
|
artikel
|
| 744 |
Contents
|
|
|
2015
|
1-10 |
Index 1 |
p. iii-v
nvt p.
|
artikel
|
| 745 |
Contents
|
|
|
2013
|
1-10 |
Index 1 |
p. iii-v
nvt p.
|
artikel
|
| 746 |
Contents
|
|
|
2012
|
1-10 |
Index 1 |
p. iii-vii
nvt p.
|
artikel
|
| 747 |
Contents
|
|
|
2013
|
1-10 |
Index 1 |
p. iii-vii
nvt p.
|
artikel
|
| 748 |
Contents
|
|
|
2012
|
1-10 |
Index 1 |
p. v-xi
nvt p.
|
artikel
|
| 749 |
Contents Continued
|
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 750 |
Continuous time random walk approach to dynamic percolation
|
Hilfer, R.
|
|
1988
|
1-10 |
Index 1 |
p. 275-287
13 p.
|
artikel
|
| 751 |
Contribution of dielectric friction to the rotational reorientation time
|
Kawski, A.
|
|
2010
|
1-10 |
Index 1 |
p. 52-57
6 p.
|
artikel
|
| 752 |
σ−π Contributions in metal-co bond: A theoretical study of RhCO and PdCO
|
Koutecký, Jaroslav
|
|
1985
|
1-10 |
Index 1 |
p. 87-101
15 p.
|
artikel
|
| 753 |
Contributions to the spectroscopic–kinetic analysis of linear reaction systems
|
Polster, J.
|
|
1999
|
1-10 |
Index 1 |
p. 331-351
21 p.
|
artikel
|
| 754 |
Controlled formation of state selected SiO metastables using a new pyrolysis source
|
Stephens, James M
|
|
1996
|
1-10 |
Index 1 |
p. 173-183
11 p.
|
artikel
|
| 755 |
Control of non-Franck–Condon transitions: lighting a dark state
|
Malinovsky, Vladimir S.
|
|
2001
|
1-10 |
Index 1 |
p. 47-57
11 p.
|
artikel
|
| 756 |
Control of the yield of photophysical/photochemical processes by excitation with properly delayed ultrashort phase-locked light pulses: a model study on the pyrazine S2 → S 1 internal conversion
|
Ferretti, Alessandro
|
|
1995
|
1-10 |
Index 1 |
p. 447-454
8 p.
|
artikel
|
| 757 |
Convergence of the elastic and the inelastic collision cross sections in the coupled-states and the close-coupling methods
|
McGuire, Paul
|
|
1975
|
1-10 |
Index 1 |
p. 231-238
8 p.
|
artikel
|
| 758 |
Convergence of the Hartree-Fock green matrix method
|
Chen, R.S.
|
|
1988
|
1-10 |
Index 1 |
p. 177-186
10 p.
|
artikel
|
| 759 |
Conversion of CO2 in a low-powered atmospheric microwave plasma: In-depth study on the trade-off between CO2 conversion and energy efficiency
|
Qin, Yue
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 760 |
Cooperative dissociation of J-aggregates into monomers in the 2-isobutoxyethanol/water binary solvent with the lower critical solution temperature
|
Harada, Mio
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 761 |
Cooperative effects in blue-shifted hydrogen bonded cluster of
CF
3
H
⋯
(
HF
)
1
⩽
n
⩽
3
from first principles simulations
|
Rodziewicz, P.
|
|
2009
|
1-10 |
Index 1 |
p. 129-136
8 p.
|
artikel
|
| 762 |
Cooperative effects in random sequential polymer reactions
|
González, J.J.
|
|
1974
|
1-10 |
Index 1 |
p. 228-238
11 p.
|
artikel
|
| 763 |
Correlated calculations of indirect nuclear spin-spin coupling constants for XH4 (X = Si, Ge, and Sn)
|
Kirpekar, Sheela
|
|
1994
|
1-10 |
Index 1 |
p. 171-181
11 p.
|
artikel
|
| 764 |
Correlated hopping model for singlet exciton transport in lightly doped naphthalene crystals
|
Argyrakis, Panos
|
|
1980
|
1-10 |
Index 1 |
p. 9-16
8 p.
|
artikel
|
| 765 |
Correlation between chemical bonding and satellite lines in X-ray photoelectron spectra of transition metal compounds
|
Robert, T.
|
|
1975
|
1-10 |
Index 1 |
p. 123-135
13 p.
|
artikel
|
| 766 |
Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds
|
Stoyanova, A.
|
|
2002
|
1-10 |
Index 1 |
p. 1-6
6 p.
|
artikel
|
| 767 |
Correlation between the photocatalytic activity of CdSe nanostructured thin films with optical band gap and Urbach energy
|
Ghobadi, Nader
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 768 |
Correlation effect on electronic and lattice properties of cerium oxides: Insights from density functional theory to dynamical mean-field theory
|
Li, Ru-song
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 769 |
Correlation effects in core and valence photoelectron spectra of alkene molecules
|
Fronzoni, G.
|
|
1995
|
1-10 |
Index 1 |
p. 171-193
23 p.
|
artikel
|
| 770 |
Correlation effects in the kinetics of bimolecular diffusion-mediated reactions
|
Gaididei, Yu.B.
|
|
1987
|
1-10 |
Index 1 |
p. 367-384
18 p.
|
artikel
|
| 771 |
Correlation effects in the long-range coupling between acetylenic π-electrons in a series of α,ω-diethynyl[n]staffanes (n = 1–5)
|
Braga, Manuel
|
|
1996
|
1-10 |
Index 1 |
p. 159-164
6 p.
|
artikel
|
| 772 |
Correlation energy correction as a density functional. A model of the pair distribution function and its application to the first- and second-row atoms and hydrides
|
Gritsenko, O.V.
|
|
1987
|
1-10 |
Index 1 |
p. 21-32
12 p.
|
artikel
|
| 773 |
Correlation of attack and recoil angles for the Li+HF reaction: An exact quantum mechanical study at low and high total angular momentum
|
Skouteris, Dimitris
|
|
2008
|
1-10 |
Index 1 |
p. 170-180
11 p.
|
artikel
|
| 774 |
Correlation of early orientational ordering of engineered λ6–85 structure with kinetics and thermodynamics
|
Larios, Edgar
|
|
2006
|
1-10 |
Index 1 |
p. 45-53
9 p.
|
artikel
|
| 775 |
Correlation of electronic carotenoid–chlorophyll interactions and fluorescence quenching with the aggregation of native LHC II and chlorophyll deficient mutants
|
Liao, Pen-Nan
|
|
2010
|
1-10 |
Index 1 |
p. 50-55
6 p.
|
artikel
|
| 776 |
Corrigendum to “A simplified approach for the coupling of excitation energy transfer” [Chem. Phys. 394 (1) (2012) 56–63]
|
Shi, Bo
|
|
2017
|
1-10 |
Index 1 |
p. 105
|
artikel
|
| 777 |
Corrigendum to: “Influence of phonons on exciton transfer dynamics: comparison of the Redfield, Förster, and modified Redfield equations” [Chem. Phys. 275 (2002) 355–372]
|
Yang, Mino
|
|
2002
|
1-10 |
Index 1 |
p. 161-
1 p.
|
artikel
|
| 778 |
Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling
|
Jabbar, Abdullah Hasan
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 779 |
Coulomb explosion dynamics of N2 in intense laser field by mass-resolved momentum imaging
1
Dedicated to Professor Ikuzo Tanaka on the occasion of his 70th birthday.
1
|
Hishikawa, Akiyoshi
|
|
1998
|
1-10 |
Index 1 |
p. 315-329
15 p.
|
artikel
|
| 780 |
Counting single Rhodamine 6G dye molecules in organosilicate nanoparticles
|
Trenkmann, Ines
|
|
2012
|
1-10 |
Index 1 |
p. 41-46
6 p.
|
artikel
|
| 781 |
Coupled channel calculations on rovibrational excitation of H2O in collisions with H atoms
|
Bissonnette, C.
|
|
1993
|
1-10 |
Index 1 |
p. 23-36
14 p.
|
artikel
|
| 782 |
Coupled cluster calculations for three low-lying doublet states of linear C10
−
|
Botschwina, Peter
|
|
1997
|
1-10 |
Index 1 |
p. 131-138
8 p.
|
artikel
|
| 783 |
Coupling between lattice and intramolecular modes in 9,10-dimethylanthracene: Raman spectra under pressure and quasi-harmonic lattice dynamics calculations
|
Della Valle, Raffaele Guido
|
|
2001
|
1-10 |
Index 1 |
p. 197-206
10 p.
|
artikel
|
| 784 |
Coverage-, temperature-, and frequency-dependent broadband infrared reflectance change induced by CO adsorption on Pt(111)
|
Kuhl, D.E.
|
|
1996
|
1-10 |
Index 1 |
p. 1-10
10 p.
|
artikel
|
| 785 |
12C16O2: Vibrational population distributions in CO2N2, CO2He and CO2N2He dc discharges from high-information emission fourier spectra
|
Bailly, D.
|
|
1985
|
1-10 |
Index 1 |
p. 101-118
18 p.
|
artikel
|
| 786 |
C2O(
X
3Σ−): absolute reaction rates measured by laser induced fluoresence
|
Donnelly, V.M.
|
|
1980
|
1-10 |
Index 1 |
p. 289-293
5 p.
|
artikel
|
| 787 |
Critical phenomena in electrical resistance of binary liquids: A study of the frequency dependence
|
Kumar, Anil
|
|
1979
|
1-10 |
Index 1 |
p. 131-139
9 p.
|
artikel
|
| 788 |
Crossed-beam chemiluminescence. 1. MF dissociation energies from reactions of metastable group IIA metals with fluorine
|
Engelke, F.
|
|
1979
|
1-10 |
Index 1 |
p. 279-284
6 p.
|
artikel
|
| 789 |
Crossed-beam chemiluminescence: The alkaline earth rearrangement reaction M + S2Cl2 → S2
* + MCl2
|
Engelke, F.
|
|
1977
|
1-10 |
Index 1 |
p. 327-340
14 p.
|
artikel
|
| 790 |
Cross-linkable fluorene-based hole transporting materials for perovskite solar cells
|
Kamarauskas, Egidijus
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 791 |
Cross sections and rate constants for rotational excitation of NH3 colliding with H2(j = 0) and H2(j = 1)
|
Billing, G.D.
|
|
1987
|
1-10 |
Index 1 |
p. 161-166
6 p.
|
artikel
|
| 792 |
Cross sections, rate constants, and Maxwellian averages
|
Schlier, Christoph G.
|
|
1988
|
1-10 |
Index 1 |
p. 73-80
8 p.
|
artikel
|
| 793 |
Crystal and molecular structures of 3-[1-(2-hydroxyethylamino)-ethylidene]-chroman-2,4-dione and 2-methoxy-3-[1-(benzylamino)-ethylidene]-2,3-dihydro-2,4-dioxo-2λ5-benzo[e][1,2]oxaphosphinane and DFT study of intramolecular H-bonds of related compounds
|
Małecka, Magdalena
|
|
2004
|
1-10 |
Index 1 |
p. 235-244
10 p.
|
artikel
|
| 794 |
Crystallographic refinement of collective excitations using standing wave inelastic X-ray scattering
|
Gan
, Yu
|
|
2013
|
1-10 |
Index 1 |
p. 160-167
8 p.
|
artikel
|
| 795 |
Crystal polymorphs and molecular conformations of fluorinated ionic liquid: 1-Ethyl-3-methylimidazolium perfluorobutanesulfonate
|
Abe, Hiroshi
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 796 |
Crystal structure and photoluminescence of single crystals of fullerene-9,9′-trans-bis(telluraxanthenyl) molecular complex: C26H18Te2 · C60 · CS2
|
Kveder, V.V.
|
|
1997
|
1-10 |
Index 1 |
p. 407-415
9 p.
|
artikel
|
| 797 |
Crystal structures, optical properties and theoretical calculation of novel two-photon polymerization initiators
|
Zhou, Hong-Ping
|
|
2006
|
1-10 |
Index 1 |
p. 459-470
12 p.
|
artikel
|
| 798 |
CS+(B2Σ+−A2Πi) emission produced from dissociative charge-transfer reactions of He+ with CS2 and OCS at thermal energy
|
Tsuji, M.
|
|
1980
|
1-10 |
Index 1 |
p. 195-207
13 p.
|
artikel
|
| 799 |
CS(l
av) and computational study of degeneracy averaged differerential cross sections and Δm-integral cross sections: Hez.sbndCO, HDz.sbnd
|
Fitz, D.E.
|
|
1981
|
1-10 |
Index 1 |
p. 267-276
10 p.
|
artikel
|
| 800 |
C90 temperature effects on relative stabilities of the IPR isomers
|
Slanina, Zdeněk
|
|
1997
|
1-10 |
Index 1 |
p. 193-200
8 p.
|
artikel
|
| 801 |
CuBr chemiluminescence from the Cu* (2D
sol3
2
,
5
2
) + Br2 reaction
|
Kowalczyk, P.
|
|
1992
|
1-10 |
Index 1 |
p. 73-83
11 p.
|
artikel
|
| 802 |
D-A-D based reversible fluorescent probe for selective detection and cell imaging of copper ion
|
Xu, Hejia
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 803 |
DC photoconduction action spectra in thin film polymer crystals of 3 and 4BCMU polydiacetylene
|
Donovan, K.J.
|
|
1999
|
1-10 |
Index 1 |
p. 61-70
10 p.
|
artikel
|
| 804 |
DC slice ion imaging of the ultraviolet photodissociation of 2-bromohexane
|
Mao, Rui
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 805 |
D-dimensional energies for sodium dimer
|
Zhang, Guang-Dong
|
|
2014
|
1-10 |
Index 1 |
p. 79-84
6 p.
|
artikel
|
| 806 |
Deactivation via ring opening: A quantum chemical study of the excited states of furan and comparison to thiophene
|
Gavrilov, Nemanja
|
|
2008
|
1-10 |
Index 1 |
p. 269-277
9 p.
|
artikel
|
| 807 |
Decane structure on a graphite surface with sodium dodecyl sulfate and betaine surfactant mixtures: A molecular dynamics study
|
Salazar-Arriaga, Ana Beatriz
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 808 |
Decay dynamics of triatomic molecules: Quantum calculations for non-symmetric linear systems
|
Basilevsky, M.V.
|
|
1984
|
1-10 |
Index 1 |
p. 67-83
17 p.
|
artikel
|
| 809 |
Decay kinetics of Kr* levels populated by ArF laser radiation
|
Wren, D.J.
|
|
1981
|
1-10 |
Index 1 |
p. 43-55
13 p.
|
artikel
|
| 810 |
Decay of atomic systems in a strong electric field. Negative ion and hydrogen atom
|
Guschina, N.A.
|
|
1975
|
1-10 |
Index 1 |
p. 23-31
9 p.
|
artikel
|
| 811 |
Deciphering the role of multiple hydrogen bonding sites on the microsolvation of 3-(phenylamino)-2-cyclohexen-1-one with water in the excited states
|
Misra, Ramprasad
|
|
2013
|
1-10 |
Index 1 |
p. 148-155
8 p.
|
artikel
|
| 812 |
Decomposition of liquid hexamethyldisiloxane induced by CO2 laser pulse heating of carbon particles
|
Tumanova, L.M.
|
|
2002
|
1-10 |
Index 1 |
p. 31-39
9 p.
|
artikel
|
| 813 |
Decomposition of perchlorodisiloxane
|
Wichmann, Daniel
|
|
1998
|
1-10 |
Index 1 |
p. 87-96
10 p.
|
artikel
|
| 814 |
Decrease in the configurational entropy during a melt’s polymerization
|
Johari, G.P.
|
|
2004
|
1-10 |
Index 1 |
p. 231-236
6 p.
|
artikel
|
| 815 |
Degeneracy, orientational disorder and chromophore size effects on Frenkel excitons in columnar mesophases
|
Markovitsi, D.
|
|
2001
|
1-10 |
Index 1 |
p. 147-158
12 p.
|
artikel
|
| 816 |
Delayed fluorescence from the lowest 1B+
3u state of anthracene, due to hetero-triplet—triplet annihilation of 3anthracene* and 3xanthone*
|
Nickel, Bernhard
|
|
1982
|
1-10 |
Index 1 |
p. 365-376
12 p.
|
artikel
|
| 817 |
Delayed fluorescence of n-methylcarbazole in heptane and in toluene; energy transfer from upper excited singlet states of n-methylcarbazole to toluene
|
Nickel, Bernhard
|
|
1980
|
1-10 |
Index 1 |
p. 243-250
8 p.
|
artikel
|
| 818 |
Density dependent structural properties of dilute mixtures of OCS with argon. A molecular dynamics investigation
|
Samios, J.
|
|
1993
|
1-10 |
Index 1 |
p. 83-92
10 p.
|
artikel
|
| 819 |
Density functional based structure optimization for molecules containing heavy elements: analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method
|
Nasluzov, Vladimir A.
|
|
1996
|
1-10 |
Index 1 |
p. 413-425
13 p.
|
artikel
|
| 820 |
Density functional calculations of beryllium clusters Be
n
, n=2–8
|
Beyer, Martin K.
|
|
2000
|
1-10 |
Index 1 |
p. 15-23
9 p.
|
artikel
|
| 821 |
Density-functional study for the NO
x
(x
=1, 2) dissociation mechanism on the Cu(111) surface
|
Yen, Mei-Yin
|
|
2010
|
1-10 |
Index 1 |
p. 300-306
7 p.
|
artikel
|
| 822 |
Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5NO]2− (M=Fe, Ru) and reduction products
|
Gómez, J.A.
|
|
2000
|
1-10 |
Index 1 |
p. 73-89
17 p.
|
artikel
|
| 823 |
Density functional theory study of neutral and singly-charged (NaBH4)
n
(n
=1–6) nanoclusters
|
Yang, Yongpeng
|
|
2014
|
1-10 |
Index 1 |
p. 45-52
8 p.
|
artikel
|
| 824 |
Density, refractive index and sorption capacity of solid CO2 layers
|
Schulze, W.
|
|
1980
|
1-10 |
Index 1 |
p. 381-388
8 p.
|
artikel
|
| 825 |
Dependence of collision complex lifetime on product internal state: Laser fluorescence detection of the Ca + NaCl crossed beam reaction
|
Dagdigian, Paul J.
|
|
1977
|
1-10 |
Index 1 |
p. 453-466
14 p.
|
artikel
|
| 826 |
Dependence of impurity zero-phonon band thermal broadening and shift on impurity site and vibron level in organic crystals
|
Burke, Francis P.
|
|
1974
|
1-10 |
Index 1 |
p. 198-210
13 p.
|
artikel
|
| 827 |
Dependence of morphology and photoluminescent properties of GdPO4:Eu3+ nanostructures on synthesis condition
|
Yu, Lixin
|
|
2006
|
1-10 |
Index 1 |
p. 478-482
5 p.
|
artikel
|
| 828 |
Dependence of volume-produced H− ions on the wall recombination probability of H atoms in a low pressure H2 positive column
|
Loureiro, J
|
|
1998
|
1-10 |
Index 1 |
p. 141-149
9 p.
|
artikel
|
| 829 |
Dependence on molecular parameters of the heat capacity critical behaviour for nitroalkane+alcohol binary systems
|
Souto-Caride, M.
|
|
2009
|
1-10 |
Index 1 |
p. 225-229
5 p.
|
artikel
|
| 830 |
Derivation of the one electron orbital which is associated with the best separable function of a given many electron reference state
|
Šindelka, Milan
|
|
2017
|
1-10 |
Index 1 |
p. 384-386
|
artikel
|
| 831 |
Design and computational studies on energetic compounds composing bridged bis triazolo-triazine framework
|
Maan, Anjali
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 832 |
Design and performance study of nitrogen-containing cuneane derivatives
|
Tang, Dongrun
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 833 |
Design of new inhibitors of HIV-1 aspartic protease
|
Miertus, S.
|
|
1996
|
1-10 |
Index 1 |
p. 173-180
8 p.
|
artikel
|
| 834 |
Design of optimal infrared femtosecond laser pulses for the overtone excitation in acetylene
|
Tesch, Carmen M
|
|
2001
|
1-10 |
Index 1 |
p. 173-185
13 p.
|
artikel
|
| 835 |
Design of substituted semibullvalenes suitable for control of the cope rearrangement by two ps IR laser pulses
|
Dohle, M.
|
|
1995
|
1-10 |
Index 1 |
p. 91-97
7 p.
|
artikel
|
| 836 |
Detection of trimethylenemethane by IR spectroscopy:result of the photoisomerization of methylenecyclopropane in a halogen-doped xenon matrix
1
1
Small Rings, Part 84, For Part 83, see Ref. [1].
|
Maier, Günther
|
|
1994
|
1-10 |
Index 1 |
p. 383-399
17 p.
|
artikel
|
| 837 |
Determination of absolute cross sections and rate coefficients for state-to-state reactions He+(X 2S)+H2(X 1Σg
+)→He(1snl+H2
+(j
2A) in ion beam experiments
|
Wu, Richard L.C.
|
|
1981
|
1-10 |
Index 1 |
p. 385-397
13 p.
|
artikel
|
| 838 |
Determination of a non-local pseudo-potential for electron—neon-atom interaction
|
Valance, A.
|
|
1985
|
1-10 |
Index 1 |
p. 63-72
10 p.
|
artikel
|
| 839 |
Determination of anticancer activity and mechanism of action of benzooxazepines (BZOs) derivatives using multipronged computational and structural approaches
|
Azad, Iqbal
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 840 |
Determination of a potential energy function for nitrogen trifluoride by inversion of the new reduced viscosity collision integrals at zero density
|
Oghaz, Nader Mansoori
|
|
2010
|
1-10 |
Index 1 |
p. 59-65
7 p.
|
artikel
|
| 841 |
Determination of D0
o(BaI) from the chemiluminescent reaction Ba + I2
|
Dickson, C.R.
|
|
1976
|
1-10 |
Index 1 |
p. 243-248
6 p.
|
artikel
|
| 842 |
Determination of FeCO geometry and heme rigidity in carbonmonoxyhemoglobin using femtosecond IR spectroscopy
|
Locke, B.
|
|
1991
|
1-10 |
Index 1 |
p. 409-419
11 p.
|
artikel
|
| 843 |
Determination of protonation sites in bases from topological rules
|
Fuster, Franck
|
|
2000
|
1-10 |
Index 1 |
p. 279-287
9 p.
|
artikel
|
| 844 |
Determination of quadrupole moments of light hydrocarbon molecules from rotationally inelastic state to state scattering cross sections
|
Meyer, Gerhard
|
|
1980
|
1-10 |
Index 1 |
p. 39-46
8 p.
|
artikel
|
| 845 |
Determination of rates of collision-induced vibrational and intramultiplet transitions for YO(A2II) molecules in Ar- and N2-diluted flames
|
Wijchers, T.
|
|
1984
|
1-10 |
Index 1 |
p. 141-159
19 p.
|
artikel
|
| 846 |
Determination of the electronic structure, the spin density distribution, and approach to the geometric structure of substituted cobaltocenes from NMR spectroscopy in solution
|
Eicher, H.
|
|
1988
|
1-10 |
Index 1 |
p. 297-309
13 p.
|
artikel
|
| 847 |
Determination of the iron-carbonyl bond geometry of carboxyprotoheme in solution using picosecond infrared-optical photoselection
|
Hansen, Patricia A.
|
|
1989
|
1-10 |
Index 1 |
p. 49-62
14 p.
|
artikel
|
| 848 |
Determination of the radiative lifetimes of the b1Σ+ and a1Δ states in NH by ab initio methods
|
Marian, Christel M.
|
|
1985
|
1-10 |
Index 1 |
p. 213-223
11 p.
|
artikel
|
| 849 |
Determination of the structures and barriers to hindered internal rotation of the phenol–methanol cluster in the S0 and S1 states
|
Schmitt, M.
|
|
2000
|
1-10 |
Index 1 |
p. 349-361
13 p.
|
artikel
|
| 850 |
Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 1 – Spectral analysis in the domain 11000–200cm−1
|
Perchard, J.P.
|
|
2008
|
1-10 |
Index 1 |
p. 35-46
12 p.
|
artikel
|
| 851 |
Determining the spatial coherence of excitons from the photoluminescence spectrum in charge-transfer J-aggregates
|
Hestand, Nicholas J.
|
|
2016
|
1-10 |
Index 1 |
p. 262-271
10 p.
|
artikel
|
| 852 |
Deuteration effect on the structural phase transitions of hydrogen bonded-dielectric T1H2AsO4: a vibrational study
|
Pasquier, B.
|
|
1997
|
1-10 |
Index 1 |
p. 33-50
18 p.
|
artikel
|
| 853 |
Deuteron spin–lattice relaxation in partially deuterated ammonium hexachlorotellurate
|
Birczyński, A.
|
|
2006
|
1-10 |
Index 1 |
p. 373-384
12 p.
|
artikel
|
| 854 |
Development and optimization of shaped NMR pulses for the study of coupled spin systems
|
Ewing, Brent
|
|
1990
|
1-10 |
Index 1 |
p. 121-129
9 p.
|
artikel
|
| 855 |
DFT and MRCI studies on ground and excited states of CrO2
|
Grein, Friedrich
|
|
2008
|
1-10 |
Index 1 |
p. 231-240
10 p.
|
artikel
|
| 856 |
DFT calculation of molecular structure and vibrational spectra of the phosphorus-containing
G
1
′
generation dendrimer with terminal aldehyde groups
|
Furer, V.L.
|
|
2006
|
1-10 |
Index 1 |
p. 417-424
8 p.
|
artikel
|
| 857 |
DFT calculations of the local structures and the EPR parameters for Rh2+ doped AO (A = Mg, Ca) crystals
|
Zhang, Gao-Jun
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 858 |
DFT investigation on the design and optimization of icosahedral and octahedral beryllium nitride (Be3N2)x fullerene analogue. A comparative study with isosymmetry carbon fullerene
|
Nehdi, K.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 859 |
DFT modeling and spectroscopic study of metal–ligand bonding in La(III) complex of coumarin-3-carboxylic acid
|
Mihaylov, Tz.
|
|
2006
|
1-10 |
Index 1 |
p. 209-219
11 p.
|
artikel
|
| 860 |
DFT studies for three Cu(II) coordination polymers: Geometrical and electronic structures, g factors and UV–visible spectra
|
Ding, Chang-Chun
|
|
2018
|
1-10 |
Index 1 |
p. 20-25
|
artikel
|
| 861 |
DFT study of ground state proton transfer in 2-pyridone/2-hydroxypyridine–ammonia clusters
|
Esboui, M.
|
|
2005
|
1-10 |
Index 1 |
p. 277-285
9 p.
|
artikel
|
| 862 |
DFT study of optoelectronic and magnetic properties of a novel type perovskites
|
Barhoumi, M.
|
|
|
1-10 |
Index 1 |
p. 120-128
|
artikel
|
| 863 |
DFT study of [Pt(Cl)2L] complex (L = rubeanic acid) and its derived compounds with DNA purine bases
|
Kumar, Amit
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 864 |
DFT study of structure, IR and Raman spectra of
P
0
′
and
P
4
′
dendrimers built from octasubstituted metal-free phthalocyanine core
|
Furer, V.L.
|
|
2009
|
1-10 |
Index 1 |
p. 177-183
7 p.
|
artikel
|
| 865 |
DFT study on stability and H2 adsorption activity of bimetallic Au79−
n
Pd
n
(n
=1–55) clusters
|
Liu, Xuejing
|
|
2013
|
1-10 |
Index 1 |
p. 179-185
7 p.
|
artikel
|
| 866 |
DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole
|
Liu, Haining
|
|
2013
|
1-10 |
Index 1 |
p. 21-25
5 p.
|
artikel
|
| 867 |
DFT theoretical, spectroscopic and X-ray diffraction studies on 4-methyl-2′-hydroxy-4′-alkyloxyazobenzenes
|
Pająk, J.
|
|
2001
|
1-10 |
Index 1 |
p. 15-21
7 p.
|
artikel
|
| 868 |
DFT theoretical, X-ray diffraction and IR matrix-isolated studies on 4-chloro-2′-hydroxy-4′-ethoxyazobenzene
|
Pająk, J.
|
|
2002
|
1-10 |
Index 1 |
p. 89-100
12 p.
|
artikel
|
| 869 |
Diamagnetic anisotropy of molecular complexes of 1,3,5-trinitrobenzene with anthracene and carbazole
|
Burzyński, Ryszard
|
|
1982
|
1-10 |
Index 1 |
p. 441-446
6 p.
|
artikel
|
| 870 |
Diatomic molecules in a rare gas matrix; vibrational energy accumulation in CO isotopes imbedded in argon
|
Blumen, A.
|
|
1977
|
1-10 |
Index 1 |
p. 287-293
7 p.
|
artikel
|
| 871 |
Diatomics-in-molecules potential energy surfaces for the collision-induced dissociation of excited
Li
2(1Πu) by helium atoms
|
Chang, Christian C.
|
|
1985
|
1-10 |
Index 1 |
p. 73-85
13 p.
|
artikel
|
| 872 |
Diatomics-in-molecules study of the geometric and electronic structure of Xe
n
+ clusters
|
Paška, Petr
|
|
2003
|
1-10 |
Index 1 |
p. 237-248
12 p.
|
artikel
|
| 873 |
Diatomics-in-molecules study of the ground and excited states of H
3
−
|
Belyaev, Andrey K.
|
|
1997
|
1-10 |
Index 1 |
p. 43-52
10 p.
|
artikel
|
| 874 |
Dielectric and viscosity studies of the principal relaxation process of liquid 1-alkanols and their solutions
|
Mandal, Humayun
|
|
1989
|
1-10 |
Index 1 |
p. 441-451
11 p.
|
artikel
|
| 875 |
Dielectric effects of step-increased pressure on the mass- and diffusion-controlled linear chain and network macromolecules growth
|
Wasylyshyn, D.A.
|
|
1998
|
1-10 |
Index 1 |
p. 345-358
14 p.
|
artikel
|
| 876 |
Dielectric relaxation in cyano complexes of the K4Me11(CN)6·3H2O type. II. Isotopic effect
|
Kołłodziej, H.A.
|
|
1983
|
1-10 |
Index 1 |
p. 75-80
6 p.
|
artikel
|
| 877 |
Dielectric tensor, effective polarizability and local electric field in pyrene crystals
|
Price, A.H.
|
|
1976
|
1-10 |
Index 1 |
p. 413-419
7 p.
|
artikel
|
| 878 |
Dielectric theory of weak charge-transfer crystals. II. Polarization energies
|
Munn, R.W.
|
|
1989
|
1-10 |
Index 1 |
p. 15-26
12 p.
|
artikel
|
| 879 |
Diffraction by holographic gratings in diacetylene crystals
|
Bauer, H.-D.
|
|
1989
|
1-10 |
Index 1 |
p. 303-312
10 p.
|
artikel
|
| 880 |
Diffusion and adsorption of dimers on reconstructed Pt(110) surfaces: First principle and EAM studies
|
Matrane, I.
|
|
2018
|
1-10 |
Index 1 |
p. 96-101
|
artikel
|
| 881 |
Diffusion-controlled kinetics of systems containing a finite number of reacting particles
|
Klochikhin, V.L.
|
|
1988
|
1-10 |
Index 1 |
p. 279-289
11 p.
|
artikel
|
| 882 |
Diffusion-controlled reactions: Analysis of quenched fluorescence decay data
|
Das, Ranjan
|
|
1989
|
1-10 |
Index 1 |
p. 361-378
18 p.
|
artikel
|
| 883 |
Diffusion dependence of absolute chemically induced nuclear polarizations from triplet radical pairs in high magnetic fields
|
Burri, Jürg
|
|
1989
|
1-10 |
Index 1 |
p. 497-502
6 p.
|
artikel
|
| 884 |
Diffusion in a tilted periodic potential. Specific properties of motion in the underdamped limit
|
Shushin, A.I.
|
|
2010
|
1-10 |
Index 1 |
p. 244-252
9 p.
|
artikel
|
| 885 |
Diffusion in mixtures of hard spheres at liquid densities: A comparison of molecular dynamics and experimental data in equimolar systems
|
Easteal, A.J.
|
|
1984
|
1-10 |
Index 1 |
p. 101-111
11 p.
|
artikel
|
| 886 |
Diffusion in multicomponent systems: a free energy approach
|
Emmanuel, Simon
|
|
2004
|
1-10 |
Index 1 |
p. 21-30
10 p.
|
artikel
|
| 887 |
Diffusion of 1-alkenes and cyclohexene in alkane solvents
|
Kowert, Bruce A.
|
|
2008
|
1-10 |
Index 1 |
p. 114-120
7 p.
|
artikel
|
| 888 |
Diffusion of excitons in systems with non-planar geometry: theory
|
Pope, Martin
|
|
2003
|
1-10 |
Index 1 |
p. 105-112
8 p.
|
artikel
|
| 889 |
Diffusion of vibrationally excited molecules
|
Fujimoto, Gordon
|
|
1976
|
1-10 |
Index 1 |
p. 217-225
9 p.
|
artikel
|
| 890 |
Dihydroazulene/vinylheptafulvene photochromism: dynamics of the photochemical ring-opening reaction
|
Ern, J.
|
|
2000
|
1-10 |
Index 1 |
p. 331-337
7 p.
|
artikel
|
| 891 |
Dimensionality control of coupled scattering equations using partitioning techniques
|
Englot, Georgia
|
|
1974
|
1-10 |
Index 1 |
p. 458-466
9 p.
|
artikel
|
| 892 |
Dimerization of green sensitizing cyanines in solution. A spectroscopic and theoretical study of the bonding nature
|
Baraldi, I.
|
|
2002
|
1-10 |
Index 1 |
p. 149-165
17 p.
|
artikel
|
| 893 |
DIM model calculations for (O2H)+ interaction potentials
|
Schneider, F.
|
|
1988
|
1-10 |
Index 1 |
p. 311-320
10 p.
|
artikel
|
| 894 |
DIM potential energy surfaces for OH2
+ (4A″)
|
Whitton, W.N.
|
|
1992
|
1-10 |
Index 1 |
p. 379-392
14 p.
|
artikel
|
| 895 |
Diode laser kinetic measurements of vibrational rotational and translational temperatures of CO in CO2 laser-excited SF6
|
Sugawara, Ko-ichi
|
|
1989
|
1-10 |
Index 1 |
p. 301-306
6 p.
|
artikel
|
| 896 |
Dipolar-induced dephasing of triplet electron spins
|
Glasbeek, M.
|
|
1984
|
1-10 |
Index 1 |
p. 111-120
10 p.
|
artikel
|
| 897 |
Dipole-bound and dispersion-bound anions supported by the asymmetric tautomers of aminophosphine: H3NPH and HNPH3
|
Skurski, Piotr
|
|
2002
|
1-10 |
Index 1 |
p. 101-110
10 p.
|
artikel
|
| 898 |
Dipole (e,e+ ion) coincidence studies of the ionic photofragmentation and photoionization of carbonyl sulfide in the valence shell and S 2p, 2s and C 1s inner shell regions (10–300 eV)
|
Feng, Renfei
|
|
2000
|
1-10 |
Index 1 |
p. 353-368
16 p.
|
artikel
|
| 899 |
Dipole mediated tunnelling: Robust single-pulse population transfer across dipolar double-well systems
|
Datta, Avijit
|
|
2007
|
1-10 |
Index 1 |
p. 237-251
15 p.
|
artikel
|
| 900 |
Dipole polarizability and hyperpolarizability of FCN, CICN, BrCN and ICN
|
Maroulis, George
|
|
1997
|
1-10 |
Index 1 |
p. 67-76
10 p.
|
artikel
|
| 901 |
Direct ab initio dynamics studies on hydrogen-abstraction reactions of 1,1,1-trifluoroethane with hydroxyl radical
|
Sheng, Li
|
|
2002
|
1-10 |
Index 1 |
p. 1-8
8 p.
|
artikel
|
| 902 |
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of CH
n
Cl3−n
+HBr with n=1, 2
|
Sheng, Li
|
|
2003
|
1-10 |
Index 1 |
p. 219-225
7 p.
|
artikel
|
| 903 |
Direct ab initio molecular dynamics study of the two photodissociation channels of formic acid
|
Kurosaki, Yuzuru
|
|
2005
|
1-10 |
Index 1 |
p. 325-334
10 p.
|
artikel
|
| 904 |
Direct and ketone-sensitized photoconversion of 1-nitro-9,10-anthraquinone to 1-amino-9,10-anthraquinone mediated by donor radicals
|
Görner, Helmut
|
|
2010
|
1-10 |
Index 1 |
p. 20-27
8 p.
|
artikel
|
| 905 |
Direct application of the phase estimation algorithm to find the eigenvalues of the Hamiltonians
|
Daskin, Ammar
|
|
2018
|
1-10 |
Index 1 |
p. 87-94
|
artikel
|
| 906 |
Direct determination of interaction potentials from gas viscosity measurements alone
|
Boushehri, A.
|
|
1978
|
1-10 |
Index 1 |
p. 313-318
6 p.
|
artikel
|
| 907 |
Direct determination of ion-neutral molecule interaction potentials from gaseous ion mobility measurements
|
Viehland, Larry A.
|
|
1976
|
1-10 |
Index 1 |
p. 433-441
9 p.
|
artikel
|
| 908 |
Direct determination of pair potential energy function from extended law of corresponding states and calculation of thermophysical properties for H2–He
|
Behnejad, Hassan
|
|
2005
|
1-10 |
Index 1 |
p. 245-253
9 p.
|
artikel
|
| 909 |
Directed picosecond excitation transport in purple photosynthetic bacteria
|
Freiberg, A.
|
|
1988
|
1-10 |
Index 1 |
p. 227-235
9 p.
|
artikel
|
| 910 |
Directional centrifugal constants and effective vibrational frequencies
|
Watson, James K.G.
|
|
2002
|
1-10 |
Index 1 |
p. 171-183
13 p.
|
artikel
|
| 911 |
Direct iterative RPA calculations. Applications to ethylene, benzene and cytosine
|
Jørgen, Hans
|
|
1988
|
1-10 |
Index 1 |
p. 297-306
10 p.
|
artikel
|
| 912 |
Direct numerical integration of coupled equations with non-adiabatic interactions
|
Nguyen-Dang, T.Tung
|
|
1989
|
1-10 |
Index 1 |
p. 451-462
12 p.
|
artikel
|
| 913 |
Direct observation of meta-selective C-H activation on Pd(111) by scanning tunneling microscopy
|
Leng, Xinli
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 914 |
Direct observation of the angular distribution of the chemiluminescence from Ba + N2O → BaO + N2
|
Siegel, Auǵustin
|
|
1978
|
1-10 |
Index 1 |
p. 265-271
7 p.
|
artikel
|
| 915 |
Direct observation of weak state mixing in highly vibrationally excited acetylene
|
Utz, A.L.
|
|
1995
|
1-10 |
Index 1 |
p. 311-325
15 p.
|
artikel
|
| 916 |
Direct simulation of non-linear interparticle collisional relaxation of ensembles of two-level systems
|
Longo, S.
|
|
2000
|
1-10 |
Index 1 |
p. 265-273
9 p.
|
artikel
|
| 917 |
Direct Z-scheme SnC/InP heterostructure photocatalyst for overall water-splitting with broad optical absorption and strong catalytic activity
|
Zhang, Yan
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 918 |
Discontinuity of Shannon information entropy for two-electron atoms
|
Shi, Qicun
|
|
2005
|
1-10 |
Index 1 |
p. 127-131
5 p.
|
artikel
|
| 919 |
Discrimination between hindered rotation and pair formation in phenyl-naphthalene sodium ion pairs by endor in solution
|
von Borczyskowski, C.
|
|
1976
|
1-10 |
Index 1 |
p. 281-290
10 p.
|
artikel
|
| 920 |
Discrimination of hydration states of hydrated salts using terahertz time-domain spectroscopy
|
Ali, Ahsan
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 921 |
D-isotope-labelled n-butane cations in CF3CCl3 and in CF2ClCFCl2: Structure and reactions at low temperature
|
Lindgren, M.
|
|
1985
|
1-10 |
Index 1 |
p. 103-110
8 p.
|
artikel
|
| 922 |
Dispersive charge separation and conformational cooling of P+HA
− in reaction centers of Rb. sphaeroides R26: a spontaneous emission study
|
Ogrodnik, A.
|
|
1999
|
1-10 |
Index 1 |
p. 461-478
18 p.
|
artikel
|
| 923 |
Dispersive exciton transport in a hopping system with gaussian energy distribution
|
Schnönherr, G.
|
|
1980
|
1-10 |
Index 1 |
p. 287-298
12 p.
|
artikel
|
| 924 |
Dispersive singlet exciton motion in an organic glass
|
Jankowiak, R.
|
|
1983
|
1-10 |
Index 1 |
p. 57-67
11 p.
|
artikel
|
| 925 |
Disproportional proton tautomers of pipecolic acid and 2,6-dichloro-4-nitrophenol in a 2:3 complex
|
Anioła, Michalina
|
|
2016
|
1-10 |
Index 1 |
p. 88-95
8 p.
|
artikel
|
| 926 |
Dissociation and autoionization of the lowest doubly excited state in H2
|
Verschuur, J.W.J.
|
|
1989
|
1-10 |
Index 1 |
p. 1-10
10 p.
|
artikel
|
| 927 |
Dissociation of aliphatic hydrocarbons by controlled electron impact: Vibrational and rotational energy distributions of the excited CH radicals
|
Tokeshi, Manabu
|
|
1996
|
1-10 |
Index 1 |
p. 257-266
10 p.
|
artikel
|
| 928 |
Dissociation of hydrogen molecules in collisions with light alkali ions. I. Na+-D2
|
Schöttler, J.
|
|
1973
|
1-10 |
Index 1 |
p. 137-157
21 p.
|
artikel
|
| 929 |
Dissociation of hydrogen sulfide in e-H2S collisions: Translational energy distribution of H* (n = 4)
|
Ogawa, Teiichiro
|
|
1991
|
1-10 |
Index 1 |
p. 473-478
6 p.
|
artikel
|
| 930 |
Dissociation of OCS in liquid argon excited by an electron beam. Evidence of S(1S → 3P) and S2(B 3Σ−
u → X 3Σ−
g) emissions
|
Abouaf-Marguin, L.
|
|
1980
|
1-10 |
Index 1 |
p. 277-282
|
artikel
|
| 931 |
Dissociation of ZnO ring from Zn3O3 cluster by CASSCF
|
Tayade, Nishant T.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 932 |
Dissociation reactions of the vinyl radical in the
A
2
A″ state
|
Chen, Bo-Zhen
|
|
2004
|
1-10 |
Index 1 |
p. 325-334
10 p.
|
artikel
|
| 933 |
Dissociative double electron capture, dynamics of fragmentation of the water and hydrogen sulfide negative ions
|
Keough, T.
|
|
1976
|
1-10 |
Index 1 |
p. 191-198
8 p.
|
artikel
|
| 934 |
Dissociative excitation of aliphatic hydrocarbons (C2H2n
: n = 1, 2, 3) by fast argon ion impact: Rovibrational distribution of CH(A2
Δ)
|
Tokeshi, Manabu
|
|
1996
|
1-10 |
Index 1 |
p. 237-243
7 p.
|
artikel
|
| 935 |
Dissociative excitation of HgX radicals and Hg atoms during collisions of CO+ ions and HgX2/CH3HgX (X=Cl, Br, I) molecules
|
Kushawaha, V.
|
|
1989
|
1-10 |
Index 1 |
p. 373-384
12 p.
|
artikel
|
| 936 |
Dissociative photoionisation of NO2 up to 26 eV
|
Eland, J.H.D.
|
|
1998
|
1-10 |
Index 1 |
p. 139-148
10 p.
|
artikel
|
| 937 |
Dissociative photoionization of SiH4 in the 12–19 eV region
|
Hayaishi, T.
|
|
1987
|
1-10 |
Index 1 |
p. 151-157
7 p.
|
artikel
|
| 938 |
Distance dependence of heterogeneous electron transfer through the nonadiabatic and adiabatic regimes
|
Feldberg, Stephen W.
|
|
2006
|
1-10 |
Index 1 |
p. 216-225
10 p.
|
artikel
|
| 939 |
Distorted-wave calculations for the three dimensional chemical reaction H + H2(v ⩽ 2, j = 0) → H2(v′ ⩽ 2, j′, m
j
) + H
|
Clary, D.C.
|
|
1980
|
1-10 |
Index 1 |
p. 175-181
|
artikel
|
| 940 |
2D Janus piezoelectric iridium trihalide Ir2X3Y3 with potential application in photocatalysts for water splitting
|
Feng, Ying-Xue
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 941 |
3d-Metal monocarbonyls MCO, MCO+, and MCO− (M=Sc to Cu): comparative bond strengths and catalytic ability to produce CO2 in reactions with CO
|
Gutsev, Gennady L
|
|
2003
|
1-10 |
Index 1 |
p. 47-58
12 p.
|
artikel
|
| 942 |
Does tautomeric equilibrium exist in ortho-nitrosonaphthols?
|
Ivanova, Galya
|
|
2001
|
1-10 |
Index 1 |
p. 235-244
10 p.
|
artikel
|
| 943 |
Doping charge transfer in Pt/CNT systems induced by laser power heating
|
Oliveira, A.C.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 944 |
Doping effect of chalcogens on electronic and optical properties of perovskite LiNbO3 compound: Ab initio calculations
|
Ait Brahim, I.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 945 |
Doping of titania with manganese for improving cycling and rate performances in lithium-ion batteries
|
Opra, D.P.
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 946 |
Doppler-free high resolution laser spectroscopies of the naphthalene molecule
|
Kabir, M.H.
|
|
2002
|
1-10 |
Index 1 |
p. 237-247
11 p.
|
artikel
|
| 947 |
Do protons tunnel in the formic acid dimer and in the crystal?
|
Robertson, G.N.
|
|
1981
|
1-10 |
Index 1 |
p. 131-144
14 p.
|
artikel
|
| 948 |
Double exchange in distorted trimeric mixed-valence clusters
|
Belinsky, Moisey I.
|
|
1997
|
1-10 |
Index 1 |
p. 7-22
16 p.
|
artikel
|
| 949 |
Double ionization of methane
|
Siegbahn, Per E.M.
|
|
1982
|
1-10 |
Index 1 |
p. 443-452
10 p.
|
artikel
|
| 950 |
Double optical-IR resonance effect for the single rotational level of the
V
1
2
K
1
2
vibronic transition of C2H2
|
Makarov, Vladimir I.
|
|
2006
|
1-10 |
Index 1 |
p. 140-148
9 p.
|
artikel
|
| 951 |
Double quantum CRAZED NMR signal in inhomogeneous fields
|
Jiang, Bin
|
|
2008
|
1-10 |
Index 1 |
p. 33-36
4 p.
|
artikel
|
| 952 |
Double resonance spectroscopy of NaI and KI: the van der Waals states Ω=1 and Ω=2 of the first atomic asymptote
|
Bluhm, H.
|
|
1994
|
1-10 |
Index 1 |
p. 173-184
12 p.
|
artikel
|
| 953 |
Dramatic reduction in fluorescence quantum yield in mutants of Green Fluorescent Protein due to fast internal conversion
1
Work at KAIROS Scientific was supported by DOE Grant DE-FG03-96ER20211 and NIH Grant R44GM53287-02. The spectroscopic part of this project has been supported by Stiftung Volkswagenwerk and Deutsche Forschungsgemeinschaft (SFB 377).
1
|
Kummer, Andreas D
|
|
1998
|
1-10 |
Index 1 |
p. 183-193
11 p.
|
artikel
|
| 954 |
Dual emission of chalcone-analogue dyes emitting in the red region
|
Fayed, Tarek A
|
|
2004
|
1-10 |
Index 1 |
p. 317-326
10 p.
|
artikel
|
| 955 |
Dual 5f character in two allotropes of uranium trihydride studied via a first principles calculation
|
Li, Ru-song
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 956 |
Dual fluorescence of 9-anthryl-substituted oligothiophenes in nonpolar environment
|
Emele, P.
|
|
1994
|
1-10 |
Index 1 |
p. 417-424
8 p.
|
artikel
|
| 957 |
Dual phosphorescence of halogenated benzenes in rigid-glass solution
|
Takemura, Takeshi
|
|
1982
|
1-10 |
Index 1 |
p. 171-177
7 p.
|
artikel
|
| 958 |
DWBA calculations of relaxation and kinetic cross sections. III. Application to the HD-He system
|
Liu, Wing-Ki
|
|
1979
|
1-10 |
Index 1 |
p. 75-92
18 p.
|
artikel
|
| 959 |
Dynamical competition between reactive and reactive detachment channels in X− + H2 colliding systems (X = Cl, Br, I)
|
Durup-Ferguson, M.
|
|
1987
|
1-10 |
Index 1 |
p. 389-397
9 p.
|
artikel
|
| 960 |
Dynamical processes in excited states of Cr3+ probed by the Raman effect
|
Halperin, B.
|
|
1979
|
1-10 |
Index 1 |
p. 277-285
9 p.
|
artikel
|
| 961 |
Dynamical studies of a helium plasma at vrious pulse repetition rates
|
Wu, Dan T-c
|
|
1977
|
1-10 |
Index 1 |
p. 307-317
11 p.
|
artikel
|
| 962 |
Dynamic coordinate separation and state-dependent potentials. An analysis of localization in helium
|
Mujica, Vladimiro
|
|
1987
|
1-10 |
Index 1 |
p. 159-172
14 p.
|
artikel
|
| 963 |
Dynamic heat capacity and reaction enthalpy during the two-stage network growth in diepoxide–diamine compositions
|
Tombari, E
|
|
1998
|
1-10 |
Index 1 |
p. 267-276
10 p.
|
artikel
|
| 964 |
Dynamic instabilities in excited molecular crystals. Packing calculations in anthracenic systems
|
Craig, D.P.
|
|
1982
|
1-10 |
Index 1 |
p. 129-142
14 p.
|
artikel
|
| 965 |
Dynamic interference in the resonance-enhanced multiphoton ionization of hydrogen atoms by short and intense laser pulses
|
Müller, Anne D.
|
|
|
1-10 |
Index 1 |
p. 145-150
|
artikel
|
| 966 |
Dynamic light scattering and mutual diffusion in non-ideal systems. One- and multi-component spherical solutes
|
Schurr, J.Michael
|
|
1987
|
1-10 |
Index 1 |
p. 55-86
32 p.
|
artikel
|
| 967 |
Dynamics and energetics of the K(
2
S
) + H
2
(
X
1
Σ
g
+
) reaction: Significance of orientational and (ro)vibrational contribution
|
Yeswanth Kumar, Santhakumar
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 968 |
Dynamics of camphor sulphonic acid: a quasielastic neutron scattering study
|
Bée, M.
|
|
2002
|
1-10 |
Index 1 |
p. 211-224
14 p.
|
artikel
|
| 969 |
Dynamics of CO formation in the photodissociation of HNCO and CH2CO at 193nm
|
Fujimoto, G.T.
|
|
1982
|
1-10 |
Index 1 |
p. 197-203
7 p.
|
artikel
|
| 970 |
Dynamics of discotic methoxy triphenylene molecules from quasielastic neutron scattering and molecular dynamics simulations
|
Kearley, G.J.
|
|
2003
|
1-10 |
Index 1 |
p. 185-190
6 p.
|
artikel
|
| 971 |
Dynamics of electronic polarization in molecular crystals
|
Čápek, Vladislav
|
|
1995
|
1-10 |
Index 1 |
p. 309-318
10 p.
|
artikel
|
| 972 |
Dynamics of energy transfer processes in oxalylfluoride–acetylene clusters
|
Makarov, Vladimir I.
|
|
2008
|
1-10 |
Index 1 |
p. 1-12
12 p.
|
artikel
|
| 973 |
Dynamics of formation of CN(B2Σ+) fragment from HCN and DCN in an argon afterglow
|
Ozaki, Yasushi
|
|
1983
|
1-10 |
Index 1 |
p. 223-231
9 p.
|
artikel
|
| 974 |
Dynamics of
He
2
∗
triplet state excimer bubbles in superfluid 4He
|
Eloranta, J.
|
|
2007
|
1-10 |
Index 1 |
p. 304-312
9 p.
|
artikel
|
| 975 |
Dynamics of hot-electron transfer in oriented methyl halides on GaAs(110)
|
Lu, P.H.
|
|
1996
|
1-10 |
Index 1 |
p. 143-158
16 p.
|
artikel
|
| 976 |
Dynamics of linear exchange reactions. Quasi-classical model of high-energy vibrational inversion
|
Basilevsky, M.V.
|
|
1979
|
1-10 |
Index 1 |
p. 477-488
12 p.
|
artikel
|
| 977 |
Dynamics of reactions of O(3P) atoms with 1-alkynes as studied by a CO laser resonance absorption technique
|
Shaub, W.M.
|
|
1980
|
1-10 |
Index 1 |
p. 455-460
6 p.
|
artikel
|
| 978 |
Dynamics of reactions of O(3P) atoms with CS, CS2 and OCS
|
Hsu, D.S.Y.
|
|
1979
|
1-10 |
Index 1 |
p. 143-150
8 p.
|
artikel
|
| 979 |
Dynamics of selected rovibronic eigenstates in the V system of carbon disulfide 12,13CS2
|
Bitto, H.
|
|
1994
|
1-10 |
Index 1 |
p. 713-724
12 p.
|
artikel
|
| 980 |
Dynamics of the electronically chemiluminescent Ca + X2(F2, Cl2, Br2)
|
Menzinger, Michael
|
|
1974
|
1-10 |
Index 1 |
p. 350-366
17 p.
|
artikel
|
| 981 |
Dynamics of the hydrate and amide groups of crystalline ribonuclease and lysozyme
|
Usha, M.G.
|
|
1991
|
1-10 |
Index 1 |
p. 487-500
14 p.
|
artikel
|
| 982 |
Dynamics of the hydrogen bond: two-dimensional model and isotope effects
|
Sokolov, N.D.
|
|
1977
|
1-10 |
Index 1 |
p. 383-399
17 p.
|
artikel
|
| 983 |
Dynamics of the O+(4S)+H2(X 1Σg
+)→OH+ + H Ion-molecule reaction and some of its isotopic variants (D2 and HD). II. Quasiclassical trajectory study in the range of relative energies 0.25–6.30 eV
|
González, Miguel
|
|
1989
|
1-10 |
Index 1 |
p. 347-364
18 p.
|
artikel
|
| 984 |
Dynamics of the reaction of atomic fluorine with azomethane: An IR-chemiluminescence study
|
Schwanke, U.
|
|
1989
|
1-10 |
Index 1 |
p. 413-422
10 p.
|
artikel
|
| 985 |
Dynamics of the spin-boson model: A comparison of the multiple Davydov
D
1
,
D
1.5
,
D
2
Ansätze
|
Chen, Lipeng
|
|
2018
|
1-10 |
Index 1 |
p. 108-118
|
artikel
|
| 986 |
Dynamics of the vibrational mode-specific proton transfer reaction NH3
+(ν1) + NH3 → NH2 + NH4
+: ab initio MO and classical trajectory studies
|
Tachikawa, Hiroto
|
|
1996
|
1-10 |
Index 1 |
p. 305-312
8 p.
|
artikel
|
| 987 |
Dynamics of visible-to-ultraviolet upconversion in YAlO3: 1% Er3+
|
Xu, Huailiang
|
|
2003
|
1-10 |
Index 1 |
p. 155-159
5 p.
|
artikel
|
| 988 |
Dynamics of [Zn(D2O)6]2+ in [Zn(D2O)6][SiF6] crystal as studied by 1D, 2D spectra and spin-lattice relaxation time of 2H NMR
|
Araya, Takashi
|
|
2008
|
1-10 |
Index 1 |
p. 291-298
8 p.
|
artikel
|
| 989 |
Dynamics studies of the Si+(2P) + D2 reaction by using quantum and quasi-classical methods
|
Yu, Shunxia
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 990 |
Dynamic theory of vibronic spectra of charge transfer excitons
|
Lalov, I.J.
|
|
2005
|
1-10 |
Index 1 |
p. 189-199
11 p.
|
artikel
|
| 991 |
Editorial Board
|
|
|
2003
|
1-10 |
Index 1 |
p. IFC-
1 p.
|
artikel
|
| 992 |
Editorial board
|
|
|
2005
|
1-10 |
Index 1 |
p. IFC-
1 p.
|
artikel
|
| 993 |
Editorial Board
|
|
|
1995
|
1-10 |
Index 1 |
p. ii-
1 p.
|
artikel
|
| 994 |
editorial board
|
|
|
2006
|
1-10 |
Index 1 |
p. ii-
1 p.
|
artikel
|
| 995 |
Editorial board
|
|
|
2004
|
1-10 |
Index 1 |
p. IFC-
1 p.
|
artikel
|
| 996 |
Editorial Board
|
|
|
2018
|
1-10 |
Index 1 |
p. ii
|
artikel
|
| 997 |
Editorial Board
|
|
|
|
1-10 |
Index 1 |
p. ii
|
artikel
|
| 998 |
Editorial Board
|
|
|
2020
|
1-10 |
Index 1 |
p.
|
artikel
|
| 999 |
Editorial Board
|
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
| 1000 |
Editorial Board
|
|
|
|
1-10 |
Index 1 |
p.
|
artikel
|
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