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                             3297 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio analysis of structure and vibrational spectrum of methyl nitrate Bock, Ch.W.
1986
1-10 1 p. 69-73
5 p.
artikel
2 Ab initio and DFT anharmonic spectroscopic investigation of 1,3-cyclopentadiene Alparone, A.
2006
1-10 1 p. 127-136
10 p.
artikel
3 Ab initio calculation of anharmonic force fields for the methyl, silyl, germyl, and stannyl halides Schneider, Winfried
1992
1-10 1 p. 49-66
18 p.
artikel
4 Ab initio calculation of chromium oxide containing Ti dopant Maldonado, Frank
2012
1-10 1 p. 148-152
5 p.
artikel
5 Ab initio calculation of geometries and hfs constants of CH3, SiH3 and GeH3 radicals Ohta, K.
1982
1-10 1 p. 49-58
10 p.
artikel
6 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 1 p. 65-71
7 p.
artikel
7 Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine Habas, Marie-Pierre
1997
1-10 1 p. 63-71
9 p.
artikel
8 Ab initio calculation of the potential energy surface of the system N2Li+ Staemmler, Volker
1975
1-10 1 p. 17-29
13 p.
artikel
9 AB initio calculation of the zero-field splittings of the X3Σg − and B3Πg,i states of the S2 molecule Hess, Bernd A.
1982
1-10 1 p. 79-85
7 p.
artikel
10 Ab initio calculations and INS measurements of phonons and molecular vibrations in a model peptide compound – urea Johnson, M.R.
2003
1-10 1 p. 53-60
8 p.
artikel
11 AB initio calculations of CH3OH vibrational force constants Taillandier, E.
1974
1-10 1 p. 157-160
4 p.
artikel
12 Ab initio calculations of electronic spectra of H2S and H2S2 Pericou-Cayere, Marjorie
1997
1-10 1 p. 81-89
9 p.
artikel
13 Ab initio calculations of H2-H2 potential surfaces near the van der Waals minimum Lavendy, H.
1987
1-10 1 p. 11-19
9 p.
artikel
14 Ab initio calculations of potential energy surfaces in the complex plane. II. Comparison with different methods of analytic continuation George, Thomas F.
1973
1-10 1 p. 129-136
8 p.
artikel
15 Ab initio calculations of the core ionization spectra of unsaturated hydrocarbons Baldovin, A.
1993
1-10 1 p. 67-82
16 p.
artikel
16 AB initio calculations of the electronic structure and doubling parameters of BS Sennesal, J.M.
1981
1-10 1 p. 49-56
8 p.
artikel
17 Ab initio calculations of the structure and infrared spectrum of PO2, P2O and P4O Jarrett-Sprague, Stephen A.
1990
1-10 1 p. 27-33
7 p.
artikel
18 Ab initio calculations of zero-field splitting parameters in linear polyacenes Loboda, O.
2003
1-10 1 p. 127-137
artikel
19 Ab initio calculations on some small radicals by the unrestricted hartree-fock method Brown, R.D.
1974
1-10 1 p. 19-34
16 p.
artikel
20 AB initio calculations on the equilibruim geometry and rotation barriers in biphenyl Almlöf, Jan
1974
1-10 1 p. 135-139
5 p.
artikel
21 Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane Topiol, Sid
1977
1-10 1 p. 1-7
7 p.
artikel
22 Ab initio CI calculation of K shell absorption spectra in transition metal compounds Fronzoni, G.
1993
1-10 1 p. 57-70
14 p.
artikel
23 Ab initio CI calculations on the molecular structure of Sn2H4 isomers Márquez, Antonio
1989
1-10 1 p. 99-104
6 p.
artikel
24 Ab initio CI study of hydrogen abstraction from hydrogen and methyl sulphide by ketone triplet excited state Cardy, H.
1993
1-10 1 p. 79-90
12 p.
artikel
25 Ab initio CI study of the electronic spectrum of the interstellar free radical CP Gu, Jian-ping
1994
1-10 1 p. 39-45
7 p.
artikel
26 Ab initio CI study of the electronic spectrum of the interstellar free radical CP (Chemical Physics 185 (1994) 39-45) Gu, Jian-ping
1994
1-10 1 p. 107-
1 p.
artikel
27 Ab initio CI study of the emission spectrum and the vibronic coupling in the 3p 2T2 state of the ammonium radical Cardy, H.
1988
1-10 1 p. 73-83
11 p.
artikel
28 Ab initio computation of radiative lifetimes of the valence electronic states of CuF Delaval, J.M.
1985
1-10 1 p. 21-32
12 p.
artikel
29 Ab initio configuration interaction study of the Rydberg states of the hydroxymethyl radical CH2OH Rettrup, Sten
1988
1-10 1 p. 45-51
7 p.
artikel
30 Ab initio conformational analysis of fluoromethyl formate and difluoromethyl formate Uchimaru, Tadafumi
2004
1-10 1 p. 25-32
8 p.
artikel
31 Ab initio determination of quasi-diabatic states for multiple reaction pathways Cattaneo, Paola
1997
1-10 1 p. 49-60
12 p.
artikel
32 Ab initio determination of the CN–NH3 capture potential energy surface Faure, Alexandre
1999
1-10 1 p. 29-42
14 p.
artikel
33 Ab initio generalized valence force field for zeolite modelling 2. Aluminosilicates A.Ermoshin, Vladimir
1996
1-10 1 p. 41-51
11 p.
artikel
34 Ab initio generalized valence force field for zeolite modelling. 1. Siliceous zeolites Ermoshin, Vladimir A.
1996
1-10 1 p. 53-61
9 p.
artikel
35 Ab initio interpretation of sum frequency generation spectra of 4-cyanopyridine adsorbed on Au(111) Tadjeddine, M
2001
1-10 1 p. 27-46
20 p.
artikel
36 Ab initio investigation of the circular dichroism spectra of methylthiirane and trans-2,3-dimethylthiirane Carnell, M.
1994
1-10 1 p. 37-44
8 p.
artikel
37 Ab initio MO and density functional studies on the vibrational spectra of 1,4-benzoquinone, and its anion and dianion Zhan, Chang-Guo
1998
1-10 1 p. 45-56
12 p.
artikel
38 Ab initio MO calculation of force constants and dipole derivatives for formamide Sugawara, Yoko
1980
1-10 1 p. 105-111
7 p.
artikel
39 Ab initio molecular orbital treatment of hydroxylamine-X+-water and hydroxylamine-X+-ammonia (X = H, Li) clusters Alcamí, M.
1991
1-10 1 p. 21-36
16 p.
artikel
40 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 1 p. 39-46
8 p.
artikel
41 Ab initio MRD CI ground and excited state potential curves for addition of O to H2CCH2 and oxirane formation and decomposition Roszak, S.
1990
1-10 1 p. 13-18
6 p.
artikel
42 Ab initio MRD-CI study on low-lying electronic states in the HNO, NOH isomers Bruna, Pablo J.
1980
1-10 1 p. 39-52
14 p.
artikel
43 Ab-initio multiple reference double-excitation configuration-interaction ground and excited state potential curves for the H2NNO2 decomposition in nitramine Roszak, S.
1992
1-10 1 p. 1-9
9 p.
artikel
44 Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p) Allouche, A.R.
2009
1-10 1 p. 85-89
5 p.
artikel
45 Ab initio potential energy surface for the collisional system H−+H2 and properties of its van der Waals complex Stärck, J.
1993
1-10 1 p. 83-95
13 p.
artikel
46 Ab initio pseudopotential study of YbH and YbF Dolg, Michael
1992
1-10 1 p. 21-30
10 p.
artikel
47 Ab initio quantum chemical studies on the reactions of CF3O2 with OH Du, Benni
2006
1-10 1 p. 10-14
5 p.
artikel
48 Ab initio restricted Hartree—Fock and configuration interaction calculations for Li3 Davies, D.W.
1976
1-10 1 p. 45-49
5 p.
artikel
49 Ab initio rovibrational states and infrared spectrum of RbCN Brocks, G.
1987
1-10 1 p. 33-44
12 p.
artikel
50 Ab initio SCF and CI study of the ground and first excited state of the HSO radical Sannigrahi, A.B.
1977
1-10 1 p. 25-33
9 p.
artikel
51 Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+ Bruna, Pablo J.
1978
1-10 1 p. 33-43
11 p.
artikel
52 Ab initio SCF study on LiClO4 and Li2SO4 molecules: geometries and vibrational frequencies 1992
1-10 1 p. 153-
1 p.
artikel
53 Ab initio simulations of doped single-walled carbon nanotube sensors Talla, Jamal A.
2012
1-10 1 p. 71-77
7 p.
artikel
54 AB initio studies of chemical equilibria. III. SCF and CEPA calculations of the equilibrium constants of the reactions C2H2 + OH− ⇌C2H− + H2O and Li + H2O⇌LiOH + H Hans, Lischka
1977
1-10 1 p. 19-27
9 p.
artikel
55 Ab initio studies of the photodissociation processes in positive hydrocarbon ions. I. The methane ion Van Dishoeck, Ewine F.
1980
1-10 1 p. 45-62
18 p.
artikel
56 Ab initio studies on hydrogen-bonded clusters. I. Linear and cyclic oligomers of hydrogen cyanide Kofranek, Manfred
1987
1-10 1 p. 53-64
12 p.
artikel
57 Ab initio studies on the atomic-scale origin of friction between hydrocarbon layers Neitola, Raisa
2004
1-10 1 p. 47-56
10 p.
artikel
58 Ab initio studies on the mixed heterodimers of ammonia and hydrogen cyanide Chattopadhyay, Soumitra
1994
1-10 1 p. 39-51
13 p.
artikel
59 Ab initio study of M(CH3CN) n clusters (M=Li+, Na+, Mg2+) in the gas phase Cabaleiro-Lago, Enrique M
2000
1-10 1 p. 11-23
13 p.
artikel
60 Ab initio study of the electronic spectrum of C2H2 +. Perić, M.
1998
1-10 1 p. 33-46
14 p.
artikel
61 Ab initio study of the electronic spectrum of C2H2 +. Perić, M.
1998
1-10 1 p. 47-57
11 p.
artikel
62 Ab initio study of the electronic spectrum of Na2F Cai, Z.-L.
1996
1-10 1 p. 43-49
7 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 1 p. 73-83
11 p.
artikel
64 Ab initio study of the ground-state potential of XH− anions (X=He,Ne,Ar) Vallet, V
2001
1-10 1 p. 33-40
8 p.
artikel
65 Ab initio study of the infrared photoconversion in the water-hydrogen iodide system Hannachi, Y.
1991
1-10 1 p. 23-32
10 p.
artikel
66 Ab initio study of the NH3 + OH reaction Giménez, Xavier
1992
1-10 1 p. 41-46
6 p.
artikel
67 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 1 p. 29-33
5 p.
artikel
68 Ab initio study of the reaction mechanism of singlet and triplet N2O and their intersystem crossing Hwang, Der-Yan
2000
1-10 1 p. 89-97
9 p.
artikel
69 Ab initio study of the vibrational structure of the X 2A1 and A 2B1 electronic states of CH+ 2 Reuter, Willi
1992
1-10 1 p. 11-24
14 p.
artikel
70 Ab initio study of the X 1∑ and A1Π states of the cyanate anion (NCO−) Cai, Z.-L.
1993
1-10 1 p. 33-36
4 p.
artikel
71 Ab initio study of three low-lying electronic states of the H2NO radical Cai, Z.-L.
1993
1-10 1 p. 75-79
5 p.
artikel
72 Ab initio study on the coordination structures of M+XY3 − and M+XY4 − ion pairs Ramondo, F.
1991
1-10 1 p. 41-57
17 p.
artikel
73 Absolute chemically induced nuclear polarizations from the photodissociation of phenylsubstituted ketones. Radical pair precursor states and memory effects Hany, Roland
1993
1-10 1 p. 131-146
16 p.
artikel
74 Absolute cross sections and quantum yields for chemiluminescent Al+(1S, 3P) + F2, Cl2 collisions Kowalski, A.
1988
1-10 1 p. 125-135
11 p.
artikel
75 Absolute emission cross sections of fragments produced by 0–100 eV electron impact on NH3 Sato, Toshihiko
1986
1-10 1 p. 147-151
5 p.
artikel
76 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 1 p. 123-138
16 p.
artikel
77 Absolute optical oscillator strengths for discrete and continuum photoabsorption of molecular nitrogen (11–200 eV) Chan, W.F.
1993
1-10 1 p. 81-97
17 p.
artikel
78 Absolute optical oscillator strengths for the photoabsorption of molecular oxygen (5–30 eV) at high resolution Chan, W.F.
1993
1-10 1 p. 99-109
11 p.
artikel
79 Absolute optical oscillator strengths for the photoabsorption of nitric oxide (5–30 eV) at high resolution Chang, W.F.
1993
1-10 1 p. 111-121
11 p.
artikel
80 Absolute oscillator strengths for hydrogen sulphide: Feng, Renfei
1999
1-10 1 p. 127-142
16 p.
artikel
81 Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of silane. II. The Si 2p and 2s inner shells Cooper, Glyn
1990
1-10 1 p. 147-155
9 p.
artikel
82 Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of silane. I. The valence shell Cooper, Glyn
1990
1-10 1 p. 133-145
13 p.
artikel
83 Absolute photoabsorption and photoionization of formaldehyde in the VUV and soft X-ray regions (3–200 eV) Cooper, Glyn
1996
1-10 1 p. 61-77
17 p.
artikel
84 Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules Olney, Terry N.
1997
1-10 1 p. 59-98
40 p.
artikel
85 Absolute UV and Soft X-ray photoabsorption of ethylene by high resolution dipole (e, e) spectroscopy Cooper, Glyn
1995
1-10 1 p. 175-184
10 p.
artikel
86 Absolute yields of I(2P 1 2 ) in I2 photodissociation using a laser optoacoustic technique Hunter, Tom F.
1987
1-10 1 p. 145-153
9 p.
artikel
87 Absorption and emission behaviour of trans-p-coumaric acid in aqueous solutions and some organic solvents Putschögl, M.
2008
1-10 1 p. 107-120
14 p.
artikel
88 Absorption and emission spectra of the lowest triplet state in hexachloroacetone Koyanagi, Motohiko
1974
1-10 1 p. 107-118
12 p.
artikel
89 Absorption and emission spectroscopic characterization of some azo dyes and a diamino-maleonitrile dye Susdorf, T.
2007
1-10 1 p. 49-56
8 p.
artikel
90 Absorption and emission spectroscopic investigation of cyanovinyldiethylaniline dye vapors Deshpande, A.V.
1990
1-10 1 p. 123-131
9 p.
artikel
91 Absorption and fluorescence characteristics of photo-activated adenylate cyclase nano-clusters from the amoeboflagellate Naegleria gruberi NEG-M strain Penzkofer, A.
2012
1-10 1 p. 46-54
9 p.
artikel
92 Absorption and fluorescence spectroscopic characterisation of a phenothiazine–flavin dyad Shirdel, J.
2007
1-10 1 p. 1-13
13 p.
artikel
93 Absorption and magnetic circular dichroism spectra of CsBr:In+; moments analysis Sivasankar, V.S.
1984
1-10 1 p. 139-150
12 p.
artikel
94 Absorption by dissociative continua and Rydberg states in condensed matter: HCl in rare gas matrices Gödderz, K.H.
1996
1-10 1 p. 91-100
10 p.
artikel
95 Absorption cross-section measurements of water vapor in the wavelength region 181–199 nm Parkinson, W.H
2003
1-10 1 p. 31-35
5 p.
artikel
96 Absorption cross sections and V-T relaxation rates in SF6—Ar mixtures by time-resolved infrared multiphoton absorption Lenzi, M.
1986
1-10 1 p. 167-177
11 p.
artikel
97 Absorption in regio-regular poly(3-hexyl)thiophene thin films: Fermi resonances, interband coupling and disorder Spano, Frank C.
2006
1-10 1 p. 22-35
14 p.
artikel
98 Absorption lineshapes for the photodissociation of polyatomic molecules Beswick, J.A.
1977
1-10 1 p. 1-11
11 p.
artikel
99 Absorption, resonance Raman and Raman excitation spectra of lanthanum dimers in argon matrices Liu, Yifei
2000
1-10 1 p. 25-29
5 p.
artikel
100 Absorption spectra of volatile aromatic hydrocarbon films in the vacuum ultraviolet region Hino, Shojun
1982
1-10 1 p. 135-144
10 p.
artikel
101 A calculation of radiative lifetimes of electronically excited rovibronic levels of CuF Schamps, J.
1990
1-10 1 p. 101-110
10 p.
artikel
102 Accessibility of the lowest quintet state of organic molecules through triplet-triplet annihilation; an indo ci study Dick, Bernhard
1983
1-10 1 p. 1-16
16 p.
artikel
103 Accessing a low-lying bound electronic state of the alkali oxides, LiO and NaO, using laser induced fluorescence Pugh, J.V.
1996
1-10 1 p. 129-138
10 p.
artikel
104 Accuracy and convergence of higher order distorted wave perturbation theory Malik, David J.
1978
1-10 1 p. 153-160
8 p.
artikel
105 Accurate ab initio calculation of potential energy curves and transition dipole moments of the Xe2 + molecular ion Paidarová, Ivana
2001
1-10 1 p. 1-9
9 p.
artikel
106 Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride Izgorodina, Ekaterina I.
2006
1-10 1 p. 96-110
15 p.
artikel
107 Accurate delivery of single biomolecules by polyethylene glycol coated submicrometer pipettes Park, Chong-Woo
2004
1-10 1 p. 105-110
6 p.
artikel
108 Accurate determination of the structure of 1,3,5-trifluorobenzene by femtosecond rotational Raman coherence spectroscopy and ab initio calculations Kummli, Dominique S.
2010
1-10 1 p. 36-43
8 p.
artikel
109 Accurate photoionization cross sections of diatomic molecules by multi-configuration linear response theory Carravetta, Vincenzo
1993
1-10 1 p. 141-153
13 p.
artikel
110 Accurate potential energy curves for the X 1Σ+ and A1Σ+ states of NaH Pardo, A.
1988
1-10 1 p. 41-53
13 p.
artikel
111 Accurate singlet and triplet excitation energies using the Localized Hartree–Fock Kohn–Sham potential Della Sala, F.
2011
1-10 1 p. 19-26
8 p.
artikel
112 Accurate universal basis set for H through Xe for Hartree–Fock calculations Jorge, F.E
1998
1-10 1 p. 1-7
7 p.
artikel
113 A cellular automaton model for the catalytic formation of NH3 Mai, J.
1992
1-10 1 p. 65-71
7 p.
artikel
114 A cellular automaton model with diffusion for a surface reaction system Mai, J.
1992
1-10 1 p. 57-63
7 p.
artikel
115 A classical molecular dynamics study of the intramolecular energy transfer of model trans-stilbene Bolton, Kim
1996
1-10 1 p. 101-126
26 p.
artikel
116 A classical molecular dynamics study of the vibrational dynamics of the H/C(111)-(1×1) system Smirnov, Konstantin S.
1998
1-10 1 p. 57-66
10 p.
artikel
117 A classical study on the vibrational motion of a diatomic molecule in a collisional vibronic excitation Lobo, R.F.M.
1991
1-10 1 p. 95-101
7 p.
artikel
118 A combined Kirchhoff–Master equation approach to electronic transport in one-dimensional molecular conductors Koslowski, Thorsten
2010
1-10 1 p. 22-26
5 p.
artikel
119 A comparative CAS SCF and MBPT study of first-order electric properties of AlH Mauricio,
1988
1-10 1 p. 71-77
7 p.
artikel
120 A comparative study of the phenyl ring motion in styrene oligomers and polystyrene using FIR absorption and depolarized Rayleigh wing spectra Zoidis, E.
1992
1-10 1 p. 99-109
11 p.
artikel
121 A comparative study of triplet and radical-anion photoionization of propiophenone Goez, Martin
2004
1-10 1 p. 15-26
12 p.
artikel
122 A comparison of quantal and semiclassical perturbed-rotational-state methods in H+—Co collisions Sakimoto, Kazuhiro
1983
1-10 1 p. 137-146
10 p.
artikel
123 A comparison of the LCAO-Xα method with the hartree—fock and multiple-scattering-Xα methods on carbon monoxide Mintmire, John W.
1980
1-10 1 p. 91-103
13 p.
artikel
124 A computational study on geometries, electronic structures and ionization potentials of MSi15 (M=Cr,Mo,W) clusters by density functional method Han, Ju-Guang
2001
1-10 1 p. 33-40
8 p.
artikel
125 A coupled channels approach to Penning ionization of Ar BY He*(Is2s, 3S) Bellum, John C.
1977
1-10 1 p. 121-127
7 p.
artikel
126 Acoustic study of a critical binary mixture of nitrobenzene and n-hexane at low and ultrasonic frequencies Tanaka, Hajime
1983
1-10 1 p. 37-43
7 p.
artikel
127 A critical experiment to test the chiral interaction hypothesis Gilat, G.
1990
1-10 1 p. 195-198
4 p.
artikel
128 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 1 p. 149-158
10 p.
artikel
129 A crystal orbital investigation on the one-dimensional bis(glyoximato)pyrazine—iron system Böhm, Michael C.
1983
1-10 1 p. 1-14
14 p.
artikel
130 Activation entropy of electron transfer reactions Milischuk, Anatoli A.
2006
1-10 1 p. 172-194
23 p.
artikel
131 A dark, excited electronic state of thiophosgene in the near ultraviolet Maciejewski, A.
1992
1-10 1 p. 101-112
12 p.
artikel
132 A density functional investigation on the structure of the CF n compounds, n=1−5, and their singly charged anions Gutsev, G.L.
1992
1-10 1 p. 59-67
9 p.
artikel
133 A density functional study of bare and hydrogenated platinum clusters Sebetci, Ali
2006
1-10 1 p. 9-18
10 p.
artikel
134 A density functional study of C50 passivation Xu, Zijian
2006
1-10 1 p. 111-124
14 p.
artikel
135 A density functional study of H2O–OClO, (H2O)2–OClO and H2O–ClOO complexes Aloisio, Simone
2000
1-10 1 p. 1-9
9 p.
artikel
136 Adiabatic and diabatic representations for atom-diatom collisions: Treatment of the three-dimensional case Baer, Michael
1976
1-10 1 p. 49-57
9 p.
artikel
137 Adiabatic approximation within time-dependent density functional theory using inversion of the ground-state spin-density Kohn–Sham formalism Dreissigacker, Ingo
2011
1-10 1 p. 143-146
4 p.
artikel
138 Adiabatic calculations of the 2Σ+ g excited states of He+ 2 Metropoulos, A.
1987
1-10 1 p. 1-7
7 p.
artikel
139 Adiabatic compressibility of critical binary mixtures of nitroethane/isooctane and nitroethane/3-methylpentane Tanaka, Hajime
1983
1-10 1 p. 143-149
7 p.
artikel
140 Adiabatic elimination in stochastic reaction dynamics Gragg, Robert F.
1988
1-10 1 p. 43-49
7 p.
artikel
141 Adiabatic wave-packet motion on conically intersecting potential energy surfaces. The case of SO2(1B11A2) Müller, H.
1994
1-10 1 p. 107-116
10 p.
artikel
142 A different approach to asymmetric-rotor hfs energies Hüttner, W.
1977
1-10 1 p. 71-78
8 p.
artikel
143 A diffusion-based approach to geminate recombination of heme proteins with small ligands Starovoitov, V.S.
2003
1-10 1 p. 1-10
10 p.
artikel
144 Adsorption of epoxy and hydroxyl groups on zigzag graphene nanoribbons: Insights from density functional calculations Tang, Shaobin
2012
1-10 1 p. 33-45
13 p.
artikel
145 A dynamical model of excimer instability in molecular crystals Della Valle, Raffaele Guido
1987
1-10 1 p. 141-149
9 p.
artikel
146 A dynamic model for linear locally stiff polymers in dilute solutions Szorek, Ryszard
1999
1-10 1 p. 83-94
12 p.
artikel
147 A femtosecond study of electronic state dynamics of fucoxanthin and implications for photosynthetic carotenoid-to-chlorophyll energy transfer mechanisms Shreve, A.P.
1991
1-10 1 p. 171-178
8 p.
artikel
148 A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid–vapor interface Chakraborty, Debashree
2012
1-10 1 p. 96-104
9 p.
artikel
149 A first principles study of NO2 chemisorption on silicon carbide nanotubes Gao, Guohua
2009
1-10 1 p. 50-54
5 p.
artikel
150 A first principles study of the binding of formic acid in catalase complementing high resolution X-ray structures Rovira, Carme
2006
1-10 1 p. 129-137
9 p.
artikel
151 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 1 p. 127-145
19 p.
artikel
152 A full dimensional direct ab initio dynamics study of the electron capture by SF6 Tachikawa, Hiroto
2001
1-10 1 p. 81-89
9 p.
artikel
153 A fully relativistic study of the Pt ( CN ) 4 2 - and Pt ( CN ) 6 2 - photodetachment spectra Pernpointner, Markus
2007
1-10 1 p. 44-52
9 p.
artikel
154 A functional theoretical approach to the electrical double layer of a spherical colloid particle Wang, Zheng-Wu
2001
1-10 1 p. 57-69
13 p.
artikel
155 Again on the half-trajectory matching method in quasi-classical calculations of reaction dynamics Durup, J.
1988
1-10 1 p. 15-24
10 p.
artikel
156 A generalized model for the ν-dependence of the anisotropic long-range attractive interaction of alkali dimer-atom systems Rubahn, H.-G.
1988
1-10 1 p. 7-17
11 p.
artikel
157 A generalized multistructural (GMS) description of the photoelectron spectra of the trans-glyoxal molecule Hollauer, Eduardo
1993
1-10 1 p. 79-83
5 p.
artikel
158 Ag submonolayer structures on Pt(111) in conditions of thermodynamic equilibrium from simulation of He scattering experiments Petrella, G.
2001
1-10 1 p. 95-100
6 p.
artikel
159 A hard shape potential model for atom—symmetric top inelastic cross sections Belchior, J.C.
1993
1-10 1 p. 155-164
10 p.
artikel
160 A hard-sphere description of the thermodynamic properties of binary mixtures of organic molecules Somoza, J.A.
1986
1-10 1 p. 35-42
8 p.
artikel
161 A He(I) photoelectron spectroscopic study of the X ̃ 2 A″ 2 state of NH3 + and ND 3 + . Locht, R.
1998
1-10 1 p. 145-158
14 p.
artikel
162 A hypernetted chain study of highly asymmetrical polyelectrolytes Belloni, Luc
1985
1-10 1 p. 43-54
12 p.
artikel
163 A Jahn–Teller analysis of K3 and Rb3 in the electronic states 12E′ and 12E″ Hauser, Andreas W.
2010
1-10 1 p. 73-84
12 p.
artikel
164 A joint experimental and computational study on the kinetic and mechanism of diallyl disulfide pyrolysis in the gas phase Gholami, M.R.
2004
1-10 1 p. 45-51
7 p.
artikel
165 A laser flash photolysis study of di-pyridyl ketones Elisei, F.
1990
1-10 1 p. 107-115
9 p.
artikel
166 A laser flash photolysis study of magnetic field effects in photoinduced electron transfer between Ru (bpy)2+ 3 and N,N′-dimethylviologen in micellar solutions Turro, Nicholas J.
1992
1-10 1 p. 131-143
13 p.
artikel
167 A laser induced fluorescence study of vibrational energy transfer processes in cyclopropane Fujimoto, Gordon T.
1978
1-10 1 p. 65-71
7 p.
artikel
168 Algebraic symmetry and determination of the “Imaginary” crystal-field parameters from optical spectra of f n -ions. Tetragonal symmetry Rudowicz, Czesław
1985
1-10 1 p. 43-50
8 p.
artikel
169 A ligand-field approach for the low-lying states of Ca, Sr and Ba monohalides Allouche, A.R.
1993
1-10 1 p. 11-22
12 p.
artikel
170 Alignment and velocity distribution of the NO fragments from the UV photodissociation of jet-cooled nitrosobenzene studied by LIF and Doppler profile measurements Seiler, Reinhold
2003
1-10 1 p. 43-50
8 p.
artikel
171 A linear bond length-stabilization energy relation for five-membered rings Chesnut, D.B.
2007
1-10 1 p. 75-77
3 p.
artikel
172 All ab initio vibrational study of rotational isomerism in oxalyl fluoride, OCF-CFO, and acryloyl fluoride, OCF-CHCH2 Bock, Charles W.
1990
1-10 1 p. 65-75
11 p.
artikel
173 All-atom molecular dynamics studies of the full-length β-amyloid peptides Luttmann, Edgar
2006
1-10 1 p. 138-147
10 p.
artikel
174 All-valence-electron Cl calculations on the electronic spectrum of diborane Elbert, S.T.
1975
1-10 1 p. 25-40
16 p.
artikel
175 A local mode description of anharmonic vibrational excitations in linear molecules Lemus, R.
1999
1-10 1 p. 25-35
11 p.
artikel
176 Aluminium, gallium and indium dihydrides. An IR matrix isolation and ab initio study Pullumbi, P.
1994
1-10 1 p. 13-24
12 p.
artikel
177 Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study Pullumbi, P.
1994
1-10 1 p. 25-37
13 p.
artikel
178 A many-body theory of the Ti M2,3-VV Auger-photoelectron coincidence spectroscopy (APECS) spectrum of TiO2(110) Ohno, Masahide
2012
1-10 1 p. 29-32
4 p.
artikel
179 A mathematical model for time-resolved radiofrequency-induced optical nuclear polarization Rowat, J.
1989
1-10 1 p. 65-75
11 p.
artikel
180 A method for inverting curvilinear transformations of relevance in the quantum mechanical Hamiltonian describing n-body systems Leroy, J.P.
1992
1-10 1 p. 89-99
11 p.
artikel
181 A method for the separate computation of intermolecular vibrational frequencies with application on the H2O…HF and (H2O) n (n = 2–6) complexes Schröder, Klaus-Peter
1988
1-10 1 p. 91-101
11 p.
artikel
182 A method to obtain the Eckart hamiltonian and the equations of motion of a highly deformable polyatomic system in tems of generalized coordinates Chapuisat, Xavier
1981
1-10 1 p. 91-105
15 p.
artikel
183 Amino derivatives of symmetric 1,3,5-triphenylbenzene. Nature of the polar singlet excited state. Verbeek, G.
1993
1-10 1 p. 195-213
19 p.
artikel
184 A MNDO approach to the elementary reactions of atomic hydrogen with monosubstituted halomethanes (CH3X, X  Cl, Br, I) González, Miguel
1986
1-10 1 p. 49-56
8 p.
artikel
185 A model for describing large amplitude vibrations of triatomic molecules Wallace, R.
1979
1-10 1 p. 93-102
10 p.
artikel
186 A model for electrochemical electron transfer with strong electronic coupling Mohr, J.
2006
1-10 1 p. 140-147
8 p.
artikel
187 A model for the adsorption of metal ions on single crystal surfaces Schmickler, Wolfgang
1990
1-10 1 p. 95-104
10 p.
artikel
188 A model for the interpretation of the electronic spectra of the complex ions M(bpy)3 2+ (M = Fe, Ru, Os) in D3 and C2 sites Ferguson, James
1983
1-10 1 p. 45-59
15 p.
artikel
189 A model study of symmetric light atom transfer reactions Pollak, Eli
1985
1-10 1 p. 15-33
19 p.
artikel
190 A modified Bragg and Williams approximation of the two-step spin crossover Koudriavtsev, Andrei B.
1999
1-10 1 p. 109-126
18 p.
artikel
191 A modified hard-sphere theory for transport properties of fluids over the whole density range Dymond, J.H.
1976
1-10 1 p. 101-109
9 p.
artikel
192 A molecular dynamics computer simulation study of the temperature dependence of hydration of 1,4-dioxane and 1,3-dioxane Remerie, Klaas
1986
1-10 1 p. 27-44
18 p.
artikel
193 A molecular dynamics investigation of energy transfer efficiency in collisions of diatomic molecules Andersson, Lars L.
1993
1-10 1 p. 111-126
16 p.
artikel
194 A molecular dynamics simulation of the plastic phase (I) of cyclopentane Cardini, Gianni
1994
1-10 1 p. 17-23
7 p.
artikel
195 A molecular dynamics study for the isomerization of Ar solvated (benzene)2–K+ heteroclusters Albertí, M.
2006
1-10 1 p. 105-111
7 p.
artikel
196 A momentum-space view of the chemical bond. I. The first-row Homonuclear diatomics Rozendaal, A.
1985
1-10 1 p. 57-91
35 p.
artikel
197 A Monte Carlo simulation for the micellization of ABC 3-miktoarm star terpolymers in a selective solvent Zhu, Yutian
2006
1-10 1 p. 137-143
7 p.
artikel
198 A multipass, magnetically confined sputter source for absorption-based spectroscopy of transient molecules: the spectrum of NiH Li, Mingguang
1987
1-10 1 p. 171-176
6 p.
artikel
199 A multiple scattering EXAFS study of organometallic compounds: W(CO)6 and (1,3,5-trimethylbenzene)W(CO)3 Crüsemann, R.
1995
1-10 1 p. 81-90
10 p.
artikel
200 A multisurface classical trajectory study of the dynamics of the reaction O(1D2)+H2→OH(ν′,J′,T′, Θ′)+H using the diatomics-in-molecules method Kuntz, P.J.
1991
1-10 1 p. 77-93
17 p.
artikel
201 An ab initio CI investigation of structure and bonding in LiC2H2 complexes Pouchan, Claude
1987
1-10 1 p. 87-95
9 p.
artikel
202 An ab initio effective potential for two particles in the field of the core: a reduction of (N + 2)-electron problem to two-electron problem Wang, S.W.
1976
1-10 1 p. 53-71
19 p.
artikel
203 An ab initio Hartree—Fock study of electronic and structural properties of MgH2 Baraille, Isabelle
1994
1-10 1 p. 39-46
8 p.
artikel
204 An ab initio prediction of structures and vibrational frequencies of high-energy rotamers of glyoxal and acrolein Bock, Ch.W.
1988
1-10 1 p. 63-75
13 p.
artikel
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1995
1-10 1 p. 87-94
8 p.
artikel
206 An ab initio study of the low-lying doublet states of AgO and AgS Bauschlicher Jr., Charles W.
1990
1-10 1 p. 57-68
12 p.
artikel
207 An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen Sreedhara Rao, V.
1997
1-10 1 p. 103-112
10 p.
artikel
208 An accurate calculation of the ground state energy of the helium atom and the hydrogen negative ion using hyperspherical coordinates Frey, Jeremy G.
1987
1-10 1 p. 33-36
4 p.
artikel
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2003
1-10 1 p. 1-22
22 p.
artikel
210 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 1 p. 69-81
13 p.
artikel
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1993
1-10 1 p. 109-134
26 p.
artikel
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2007
1-10 1 p. 77-84
8 p.
artikel
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2000
1-10 1 p. 37-46
10 p.
artikel
214 Analysis of the equation-of-motion theory of electron affinities and ionization potentials Chen, Tsung-Tai
1976
1-10 1 p. 145-158
14 p.
artikel
215 Analysis of the ESR spectrum of manganese (II) in the layered compound Cd2P2Se6 Cleary, D.A.
1986
1-10 1 p. 123-129
7 p.
artikel
216 Analysis of the importance of the 3A2 NH2 + minimum in the ion—molecule reaction N+ (3P) + H2 → NH+ + H by the quasi-classical trajectory method using a plausible single surface model González, Miguel
1986
1-10 1 p. 57-66
10 p.
artikel
217 Analysis of the lattice energy of ice 1980
1-10 1 p. 146-
1 p.
artikel
218 Analysis of the reaction paths to dissociation of dichloro-ethylenes into Cl2 and C2H2 Resende, Stella M
1998
1-10 1 p. 11-20
10 p.
artikel
219 Analysis of time-dependent fluorescence experiments by the method of modulating functions with special attention to pulse fluorometry Valeur, Bernard
1978
1-10 1 p. 85-93
9 p.
artikel
220 Analysis of torsion-rotational transitions in the first three torsional states of CH3OD Mukhopadhyay, Indranath
2000
1-10 1 p. 91-101
11 p.
artikel
221 Analytical approximation for vib-rotational cross sections in molecular collisions Gerber, R.B.
1976
1-10 1 p. 19-27
9 p.
artikel
222 Analytical determination of non-born—oppenheimer matrix elements between different molecular electronic states Brickmann, Jürgen
1978
1-10 1 p. 143-152
10 p.
artikel
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1978
1-10 1 p. 113-117
5 p.
artikel
224 Analytical treatment of the oscillating Yukawa potential Bahlouli, H.
2012
1-10 1 p. 153-156
4 p.
artikel
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1999
1-10 1 p. 175-184
10 p.
artikel
226 An analysis of the siegert eigenvalue problem for autoionizing states Yaris, Robet
1979
1-10 1 p. 29-34
6 p.
artikel
227 An analytical and numerical investigation of multiplet CIDEP Shushin, A.I.
1993
1-10 1 p. 119-131
13 p.
artikel
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1996
1-10 1 p. 125-135
11 p.
artikel
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1992
1-10 1 p. 23-27
5 p.
artikel
230 An application of a theorem of boys on numerical integration Rice, Susan E.
1975
1-10 1 p. 173-179
7 p.
artikel
231 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 1 p. 93-104
12 p.
artikel
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2012
1-10 1 p. 63-70
8 p.
artikel
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1982
1-10 1 p. 83-95
13 p.
artikel
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1995
1-10 1 p. 31-41
11 p.
artikel
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1986
1-10 1 p. 151-162
12 p.
artikel
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2011
1-10 1 p. 69-77
9 p.
artikel
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2006
1-10 1 p. 159-163
5 p.
artikel
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2004
1-10 1 p. 17-24
8 p.
artikel
239 An electron-tunnelling model for recombination of aromatic hydrocarbon radical ions in non-polar solvents Brocklehurst, B.
1973
1-10 1 p. 6-18
13 p.
artikel
240 An enhanced bonding model for C60 and its ions Hands, Ian D.
2002
1-10 1 p. 41-51
11 p.
artikel
241 An EPR determination of the helix pitch and relative handedness of some induced cholesteric mesophases Gottarelli, Giovanni
1982
1-10 1 p. 143-150
8 p.
artikel
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1986
1-10 1 p. 47-60
14 p.
artikel
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2001
1-10 1 p. 63-85
23 p.
artikel
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1999
1-10 1 p. 73-87
15 p.
artikel
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1987
1-10 1 p. 61-65
5 p.
artikel
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1986
1-10 1 p. 111-117
7 p.
artikel
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1974
1-10 1 p. 72-83
12 p.
artikel
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1989
1-10 1 p. 127-139
13 p.
artikel
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1973
1-10 1 p. 27-40
14 p.
artikel
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1991
1-10 1 p. 19-27
9 p.
artikel
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2002
1-10 1 p. 33-47
15 p.
artikel
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1991
1-10 1 p. 125-134
10 p.
artikel
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2000
1-10 1 p. 21-36
16 p.
artikel
254 An experimental and theoretical study of the spectroscopic and thermodynamic properties of toluene Shaw, D.A
1998
1-10 1 p. 97-116
20 p.
artikel
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2001
1-10 1 p. 167-193
27 p.
artikel
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1996
1-10 1 p. 185-209
25 p.
artikel
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1997
1-10 1 p. 95-119
25 p.
artikel
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1988
1-10 1 p. 79-87
9 p.
artikel
259 An experimental study of collisional transfer of electronic excitation, collisional dissociation of excited molecules and photodissociation in alkali vapour Willems, P.
1985
1-10 1 p. 119-131
13 p.
artikel
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1976
1-10 1 p. 37-43
7 p.
artikel
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1980
1-10 1 p. 109-118
10 p.
artikel
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2000
1-10 1 p. 93-104
12 p.
artikel
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1986
1-10 1 p. 153-160
8 p.
artikel
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2003
1-10 1 p. 15-29
15 p.
artikel
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1974
1-10 1 p. 87-99
13 p.
artikel
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1987
1-10 1 p. 65-72
8 p.
artikel
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1991
1-10 1 p. 89-104
16 p.
artikel
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1992
1-10 1 p. 13-25
13 p.
artikel
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2001
1-10 1 p. 109-124
16 p.
artikel
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2003
1-10 1 p. 15-25
11 p.
artikel
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1990
1-10 1 p. 133-138
6 p.
artikel
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1988
1-10 1 p. 53-61
9 p.
artikel
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2001
1-10 1 p. 195-201
7 p.
artikel
274 An investigation of the two-electron chemical bond calculating energy expectation values from density matrix partitionings. Butscher, Werner
1977
1-10 1 p. 87-96
10 p.
artikel
275 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 1 p. 41-51
11 p.
artikel
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1976
1-10 1 p. 103-113
11 p.
artikel
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2001
1-10 1 p. 51-58
8 p.
artikel
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2006
1-10 1 p. 15-30
16 p.
artikel
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2007
1-10 1 p. 74-82
9 p.
artikel
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1998
1-10 1 p. 1-11
11 p.
artikel
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1979
1-10 1 p. 97-111
15 p.
artikel
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1991
1-10 1 p. 39-45
7 p.
artikel
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1996
1-10 1 p. 1-9
9 p.
artikel
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2003
1-10 1 p. 1-25
25 p.
artikel
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1995
1-10 1 p. 19-32
14 p.
artikel
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2011
1-10 1 p. 1-13
13 p.
artikel
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2012
1-10 1 p. 1-9
9 p.
artikel
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1987
1-10 1 p. 1-10
10 p.
artikel
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1994
1-10 1 p. 1-18
18 p.
artikel
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1998
1-10 1 p. 107-123
17 p.
artikel
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1997
1-10 1 p. 91-116
26 p.
artikel
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1987
1-10 1 p. 113-121
9 p.
artikel
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1980
1-10 1 p. 123-129
7 p.
artikel
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1986
1-10 1 p. 67-82
16 p.
artikel
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1974
1-10 1 p. 136-139
4 p.
artikel
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1976
1-10 1 p. 71-75
5 p.
artikel
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1984
1-10 1 p. 55-64
10 p.
artikel
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1988
1-10 1 p. 81-89
9 p.
artikel
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1997
1-10 1 p. 23-32
10 p.
artikel
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1988
1-10 1 p. 27-41
15 p.
artikel
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1979
1-10 1 p. 135-144
10 p.
artikel
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1999
1-10 1 p. 67-73
7 p.
artikel
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2006
1-10 1 p. 71-78
8 p.
artikel
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1985
1-10 1 p. 155-162
8 p.
artikel
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1978
1-10 1 p. 131-135
5 p.
artikel
306 Approaching the full CI limit with MRD CI calculations: The X 1A1 state of water with a double-zeta basis Phillips, Robin A.
1984
1-10 1 p. 11-19
9 p.
artikel
307 Approximate scaling relationships for exciton migration with trapping Herman, M.F.
1990
1-10 1 p. 85-93
9 p.
artikel
308 A priori Hartree—Fock crystal orbital calculations on polydiacetylene backbones Suhai, S.
1980
1-10 1 p. 91-101
11 p.
artikel
309 A proper mobility formula for large, heavy particles in gases in any regime Ferrari, Leonardo
2000
1-10 1 p. 63-77
15 p.
artikel
310 A pseudo-Jahn-Teller treatment of the pseudorotational spectrum of Na3 Meiswinkel, R.
1990
1-10 1 p. 117-128
12 p.
artikel
311 A quantitative analysis of the ν??? (IR) bands of H-bonds. II. Adipic acid crystals Marechal, Y.
1983
1-10 1 p. 85-94
10 p.
artikel
312 A quantitative analysis of the ν??? (IR) bands of H-bonds. I. Theory Marechal, Y.
1983
1-10 1 p. 69-83
15 p.
artikel
313 A quantitative description of skimmer interaction in supersonic secondary beams: Calibration of absolute intensities Verheijen, M.J.
1984
1-10 1 p. 63-71
9 p.
artikel
314 A quantum chemical ab initio study of the interaction between Co+ and Ni+ ions with CO2 and N2O Burda, Jaroslav V
1998
1-10 1 p. 13-22
10 p.
artikel
315 A quantum chemical ab initio study of the superexchange coupling in binuclear oxygen-bridged Ni(II) complexes Wang, C.
1995
1-10 1 p. 25-35
11 p.
artikel
316 A quantum chemical study of the infrared absorption intensities of the isoelectronic C2v systems H2F+, H2O and NH− 2 Swanton, David J.
1986
1-10 1 p. 25-31
7 p.
artikel
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1986
1-10 1 p. 9-23
15 p.
artikel
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1993
1-10 1 p. 71-82
12 p.
artikel
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1984
1-10 1 p. 13-26
14 p.
artikel
320 Are atoms intrinsic to molecular electronic wavefunctions? III. Analysis of FORS configurations Ruedenberg, Klaus
1982
1-10 1 p. 65-78
14 p.
artikel
321 Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model Ruedenberg, Klaus
1982
1-10 1 p. 41-49
9 p.
artikel
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1982
1-10 1 p. 51-64
14 p.
artikel
323 A recursive Kohn variational algorithm for the Green's operator: application to the T-matrix Brown, David
2000
1-10 1 p. 11-26
16 p.
artikel
324 A resolvent expansion theorem for the Fourier transform of the retarded Green function and its application to the absorption bandshape of chromophore aggregates Kamiya, Mamoru
1984
1-10 1 p. 61-69
9 p.
artikel
325 Are the modified hybrid functional predictions reliable for the PH3–HF hydrogen bonded system? Alikhani, M.E
2002
1-10 1 p. 159-160
2 p.
artikel
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1999
1-10 1 p. 119-132
14 p.
artikel
327 Are vibrational relaxation times really constant? II. The vibrational relaxation of C2H2 Baalbaki, Z.
1986
1-10 1 p. 123-133
11 p.
artikel
328 Are vibrational relaxation times really constant? I. The vibrational relaxation of N2O Baalbaki, Z.
1986
1-10 1 p. 83-106
24 p.
artikel
329 A revised statistical method for the description of inhomogeneous broadening of resonance lines in solids Van Berlo, G.J.A.
1986
1-10 1 p. 75-87
13 p.
artikel
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1987
1-10 1 p. 43-55
13 p.
artikel
331 A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations Herman, Michael F.
1984
1-10 1 p. 27-34
8 p.
artikel
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1981
1-10 1 p. 107-122
16 p.
artikel
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1977
1-10 1 p. 91-117
27 p.
artikel
334 A semiclassical simulation for tunneling dynamics of malonaldehyde and hydrogenoxalate anion Bosch, Enric
1992
1-10 1 p. 99-107
9 p.
artikel
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1999
1-10 1 p. 1-14
14 p.
artikel
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1998
1-10 1 p. 85-96
12 p.
artikel
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1981
1-10 1 p. 23-32
10 p.
artikel
338 A simple cluster model for the description of liquid water: temperature effects Karmakar, A.K.
1994
1-10 1 p. 11-17
7 p.
artikel
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1986
1-10 1 p. 51-68
18 p.
artikel
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1988
1-10 1 p. 65-77
13 p.
artikel
341 A simple model for proton transfer Kiefer, P.M.
1995
1-10 1 p. 33-44
12 p.
artikel
342 A simple model of chemical reaction: Foto (forced oscillation of a tightening oscillator) Pattengill, M.D.
1974
1-10 1 p. 1-18
18 p.
artikel
343 A simplified approach for the coupling of excitation energy transfer Shi, Bo
2012
1-10 1 p. 56-63
8 p.
artikel
344 A simplified WCA theory of liquid structure Meyer, A.
1980
1-10 1 p. 147-152
6 p.
artikel
345 A simulation study of energy transfer in methyl isocyanide-inert gas collisions Ming, Liu
1995
1-10 1 p. 83-104
22 p.
artikel
346 A spectroscopic and optically detected magnetic resonance study of PO− 2 in potassium chloride. III. Photo-orientation Hunter, S.J.
1980
1-10 1 p. 149-157
9 p.
artikel
347 Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores Huix-Rotllant, Miquel
2011
1-10 1 p. 120-129
10 p.
artikel
348 Associate-induced circular dichroism (AICD): A theory of the circular dichroism of associated or bonded chromophores in the dipole approximation E. Schipper, Pieter
1977
1-10 1 p. 159-166
8 p.
artikel
349 Association equation of state (AEOS) based on aggregate formation for pure substance Mohsen-Nia, M.
2007
1-10 1 p. 22-26
5 p.
artikel
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2006
1-10 1 p. 36-47
12 p.
artikel
351 A study of Franck—Condon envelopes of the photoelectron bands of polycyclic aromatic hydrocarbons Ohno, Koichi
1979
1-10 1 p. 63-74
12 p.
artikel
352 A study of interference contributions to vibrational population relaxation in fluids by impulsive mechanisms Kieffer, J.
1984
1-10 1 p. 69-80
12 p.
artikel
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1989
1-10 1 p. 109-123
15 p.
artikel
354 A study of reorientation effects in CsF—Ar using approximate quantum methods Fitz, D.E.
1977
1-10 1 p. 133-142
10 p.
artikel
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1997
1-10 1 p. 61-71
11 p.
artikel
356 A study of the absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of sulphur dioxide from the ionisation threshold to 400 Å Holland, D.M.P.
1995
1-10 1 p. 299-308
10 p.
artikel
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2006
1-10 1 p. 85-95
11 p.
artikel
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1997
1-10 1 p. 89-96
8 p.
artikel
359 A study of the electronic spectrum of halogen derivatives of ethylene Dauber, P.
1975
1-10 1 p. 143-150
8 p.
artikel
360 A study of the emission spectrum of HF excited by electrons van Sprang, H.A.
1978
1-10 1 p. 73-78
6 p.
artikel
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2001
1-10 1 p. 149-165
17 p.
artikel
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2011
1-10 1 p. 25-35
11 p.
artikel
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2012
1-10 1 p. 1-8
8 p.
artikel
364 A study of the Xαβ-exchange approximation on atoms for use in molecular and solid-state calculations Schwarz, Karlheinz
1975
1-10 1 p. 94-99
6 p.
artikel
365 A study of valence ionization of ammonia with synchrotron radiation Banna, M.Salim
1987
1-10 1 p. 157-163
7 p.
artikel
366 A symmetry analysis of electric-field-induced spectra Andrews, David L.
1984
1-10 1 p. 1-5
5 p.
artikel
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1992
1-10 1 p. 99-106
8 p.
artikel
368 A systematic investigation of the influence of Cooper minima on the photoionisation dynamics of the monohalobenzenes Holland, D.M.P
2000
1-10 1 p. 133-155
23 p.
artikel
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2003
1-10 1 p. 11-21
11 p.
artikel
370 A temperature-dependent effective potential explains CO binding to myoglobin Agmon, Noam
1996
1-10 1 p. 207-219
13 p.
artikel
371 A test of RRKM theory against numerical simulation for classical chain molecules. II. Decomposition and vibrational relaxation in uniform chains Schranz, Harold W.
1986
1-10 1 p. 93-104
12 p.
artikel
372 A test of RRKM theory against numerical simulation for classical chain molecules. III. Heavy mass barrier to intramolecular vibrational relaxation Schranz, Harold W.
1986
1-10 1 p. 105-114
10 p.
artikel
373 A test of RRKM theory against numerical simulation for classical chain molecules. I. Method and preliminary results Schranz, Harold W.
1986
1-10 1 p. 69-91
23 p.
artikel
374 A test of the bubble collapse rate effect on positronium reactions in solutions Shantarovich, V.P.
1978
1-10 1 p. 39-45
7 p.
artikel
375 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 1 p. 49-61
13 p.
artikel
376 A theoretical CMS-X α treatment of CH3I photoionization dynamics: outer valence shell and iodine 4d levels Powis, Ivan
1995
1-10 1 p. 189-201
13 p.
artikel
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1995
1-10 1 p. 101-116
16 p.
artikel
378 A theoretical investigation on the core processes of 1-alkenes Fronzoni, G.
1996
1-10 1 p. 1-18
18 p.
artikel
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1995
1-10 1 p. 51-59
9 p.
artikel
380 A theoretical reinvestigation of the A 1∏u state of N2 2+ Bennett, Frederick R.
1995
1-10 1 p. 53-60
8 p.
artikel
381 A theoretical study of acetylene: toward the complete characterization of the singlet ground state potential energy surface Halvick, Ph.
1993
1-10 1 p. 69-78
10 p.
artikel
382 A theoretical study of a model of N-tert-butyl-α-phenylnitrone (PBN) as active oxygen species scavenger (Chemical Physics 204 (1996) 313–326) Nakai, Sachiko
1996
1-10 1 p. 175-
1 p.
artikel
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1990
1-10 1 p. 35-40
6 p.
artikel
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2012
1-10 1 p. 55-62
8 p.
artikel
385 A theoretical study of the rydberg states of N2 obtained from excitations of the valence 3σg, 1πu and 2σu levels Cremaschi, P.
1986
1-10 1 p. 117-124
8 p.
artikel
386 A theoretical study of the structures and vibrational spectra of dioxirane and difluorodioxirane Francisco, J.S.
1985
1-10 1 p. 71-81
11 p.
artikel
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1995
1-10 1 p. 43-52
10 p.
artikel
388 A theoretical study on electronic structures and spectroscopic properties of cyclopropane in ground and excited states Wang, Xiaojing
2002
1-10 1 p. 7-14
8 p.
artikel
389 A theoretical study on reactivity of singlet phosphinidene by its reacting with polar water molecule Yin, Ping
2001
1-10 1 p. 1-8
8 p.
artikel
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2004
1-10 1 p. 79-86
8 p.
artikel
391 A theory of electrolyte friction on translating polyelectrolytes Schurr, J.Michael
1980
1-10 1 p. 119-132
14 p.
artikel
392 A theory of field-induced birefringence applicable to systems of large molecules Tobias, Irwin
1978
1-10 1 p. 93-99
7 p.
artikel
393 A theory of nuclear motion in polyatomic molecules based upon the morse oscillator Wallace, R.
1975
1-10 1 p. 189-199
11 p.
artikel
394 A theory of vibrational frequency shifts revisited: application to the linear FArH⋯N2, FArH⋯P2, FArH⋯CO and FArH⋯OC complexes McDowell, Sean A.C.
2004
1-10 1 p. 53-60
8 p.
artikel
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1999
1-10 1 p. 13-22
10 p.
artikel
396 A time-evolution approach to intermolecular and thermodynamic potentials Linder, Bruno
1975
1-10 1 p. 73-83
11 p.
artikel
397 Atomization enthalpies and enthalpies of formation of Ge3 and Ge4 by Knudsen effusion mass spectrometry Gingerich, K.A
2000
1-10 1 p. 65-74
10 p.
artikel
398 Atoms-in-molecules study of ground- and excited-state potential-energy curves for Li2 Polák, R.
1983
1-10 1 p. 107-114
8 p.
artikel
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1977
1-10 1 p. 43-50
8 p.
artikel
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1988
1-10 1 p. 79-89
11 p.
artikel
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1976
1-10 1 p. 49-59
11 p.
artikel
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2006
1-10 1 p. 151-158
8 p.
artikel
403 A unified approach to the density-potential mapping in a family of time-dependent density functional theories Tokatly, I.V.
2011
1-10 1 p. 78-82
5 p.
artikel
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2000
1-10 1 p. 21-26
6 p.
artikel
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2002
1-10 1 p. 9-20
12 p.
artikel
406 Averaged anisotropic potentials for collision—induced vibrational excitations: Atom—diatom encounters at low energies Gianturco, F.A.
1974
1-10 1 p. 110-118
9 p.
artikel
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1977
1-10 1 p. 29-34
6 p.
artikel
408 A vibrational study of the adsorption of glycine on clean and Na modified Si(100)-2×1 surfaces Lopez, Alberto
2002
1-10 1 p. 1-8
8 p.
artikel
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1994
1-10 1 p. 33-63
31 p.
artikel
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1997
1-10 1 p. 43-62
20 p.
artikel
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1979
1-10 1 p. 131-136
6 p.
artikel
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2003
1-10 1 p. 97-108
artikel
413 Band shapes and moment analysis of the far-infrared absorptions of dipolar molecules in solutions Ikawa, Shun-ichi
1980
1-10 1 p. 65-72
8 p.
artikel
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2011
1-10 1 p. 14-19
6 p.
artikel
415 Barrier to internal rotation of dimethyl ether: ab initio SCF study including structure relaxation and comparison to experimental results Ha, T.-K.
1978
1-10 1 p. 27-34
8 p.
artikel
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2006
1-10 1 p. 19-25
7 p.
artikel
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1984
1-10 1 p. 63-71
9 p.
artikel
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2005
1-10 1 p. 89-94
6 p.
artikel
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1996
1-10 1 p. 63-76
14 p.
artikel
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1983
1-10 1 p. 23-35
13 p.
artikel
421 Bifluorophors: molecular design and excitation energy transfer mechanism Ronova, Inga A.
2001
1-10 1 p. 99-108
10 p.
artikel
422 Binary theory of impurity quenching accelerated by resonant excitation migration in a disordered system Fedorenko, S.G.
1988
1-10 1 p. 185-198
14 p.
artikel
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1993
1-10 1 p. 1-9
9 p.
artikel
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1988
1-10 1 p. 155-164
10 p.
artikel
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1994
1-10 1 p. 61-72
12 p.
artikel
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1994
1-10 1 p. 45-59
15 p.
artikel
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1986
1-10 1 p. 93-99
7 p.
artikel
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1985
1-10 1 p. 1-11
11 p.
artikel
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1975
1-10 1 p. 84-93
10 p.
artikel
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1987
1-10 1 p. 23-32
10 p.
artikel
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2007
1-10 1 p. 64-73
10 p.
artikel
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1981
1-10 1 p. 51-56
6 p.
artikel
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1986
1-10 1 p. 115-119
5 p.
artikel
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2006
1-10 1 p. 144-150
7 p.
artikel
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1981
1-10 1 p. 9-14
6 p.
artikel
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2004
1-10 1 p. 153-157
5 p.
artikel
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2004
1-10 1 p. 37-42
6 p.
artikel
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1981
1-10 1 p. 131-135
5 p.
artikel
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1984
1-10 1 p. 97-104
8 p.
artikel
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1986
1-10 1 p. 39-46
8 p.
artikel
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2001
1-10 1 p. 127-138
12 p.
artikel
442 Calculated phonon dispersion curves for fully deuterated naphthalene crystals at low temperature Righini, R.
1980
1-10 1 p. 113-117
5 p.
artikel
443 Calculating zeros: Non-equilibrium free energy calculations Oostenbrink, Chris
2006
1-10 1 p. 102-108
7 p.
artikel
444 Calculation of anharmonic force constants Neto, N.
1986
1-10 1 p. 27-32
6 p.
artikel
445 Calculation of dynamical correlation effects by quasidegenerate perturbation theory. An application to photoionization spectra Lisini, Adriana
1992
1-10 1 p. 1-13
13 p.
artikel
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1991
1-10 1 p. 1-12
12 p.
artikel
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1999
1-10 1 p. 1-16
16 p.
artikel
448 Calculation of molecular absorption spectra using a density matrix propagation scheme: an extension of Heller's formula Neugebauer, F.
1995
1-10 1 p. 151-162
12 p.
artikel
449 Calculation of nuclear magnetic shielding using a parametric gauge for the vector potential Ferraro, M.B.
1999
1-10 1 p. 1-16
16 p.
artikel
450 Calculation of one-electron properties of diatomic molecules using the SCF-Xα scattered-wave method Chesnyi, A.S.
1980
1-10 1 p. 107-115
9 p.
artikel
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1994
1-10 1 p. 57-63
7 p.
artikel
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1992
1-10 1 p. 165-176
12 p.
artikel
453 Calculation of the asymptotic interaction and modelling of the potential energy curves of OH and OH+ Varandas, A.J.C.
1995
1-10 1 p. 91-100
10 p.
artikel
454 Calculation of the binary diffusion coefficient and interaction viscosity of the H–H2 system Vesovic, V.
2008
1-10 1 p. 41-48
8 p.
artikel
455 Calculation of the differential photoionization cross section of HF Cacelli, Ivo
1996
1-10 1 p. 89-98
10 p.
artikel
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2000
1-10 1 p. 1-12
12 p.
artikel
457 Calculation of the glory scattering with anisotropic molecule-atom interactions in sudden approximation Klaassen, D.
1978
1-10 1 p. 107-116
10 p.
artikel
458 Calculation of the 14N and 2H quadrupole coupling tensor in trimeric imidazole Palmer, Michael H.
1983
1-10 1 p. 9-14
6 p.
artikel
459 Calculation of the nuclear spin coupling constant by a variational procedure on a finite part of the second-order perturbed energy Rayez-Meaume, M.T.
1978
1-10 1 p. 73-78
6 p.
artikel
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1985
1-10 1 p. 81-87
7 p.
artikel
461 Calculation of the potential energy surface of Li+-N2 Grice, Stephen T.
1992
1-10 1 p. 73-87
15 p.
artikel
462 Calculation of the solvent reorganization free energy in the dielectric cavity model [Chem. Phys. 215 (1997) 355–370] Mertz, Edward L.
1997
1-10 1 p. 115-116
2 p.
artikel
463 Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide Andrés, José Luis
1991
1-10 1 p. 37-43
7 p.
artikel
464 Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs Salikhov, Kev M.
1997
1-10 1 p. 23-35
13 p.
artikel
465 Calculation of two-photon transitions in SF6, fit to measured frequencies te Lintel Hekkert, S.
1993
1-10 1 p. 181-189
9 p.
artikel
466 Calculations of magnetic resonance parameters for the protonated nitroxide radical Kabankin, A.S.
1974
1-10 1 p. 130-134
5 p.
artikel
467 Calculations of the auger transition rates in CH4. II. Effect of the exchange interaction Higashi, M.
1984
1-10 1 p. 133-137
5 p.
artikel
468 Calculations on the auger spectra of ethylene and acetylene Liegener, Christoph-Maria
1985
1-10 1 p. 97-101
5 p.
artikel
469 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 1 p. 153-173
21 p.
artikel
470 C2 and CN formation by optical pumping of CO/Ar and Co/N2/Ar mixtures at room temperature Rich, J.William
1979
1-10 1 p. 53-64
12 p.
artikel
471 Canonical orbital energy derivative studies of the C2H2 and H2CO ground state potential energy hypersurfaces Yamaguchi, Yukio
1994
1-10 1 p. 55-70
16 p.
artikel
472 Can the H5 molecule be observed? Kaufmann, Karl
1983
1-10 1 p. 111-115
5 p.
artikel
473 Capillaries in alginate gel as an example of dissipative structure formation Thumbs, J.
1996
1-10 1 p. 9-24
16 p.
artikel
474 Carbon-13 chemical shielding tensors in acetic acid van Dongen Torman, J.
1977
1-10 1 p. 45-49
5 p.
artikel
475 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 1 p. 125-130
6 p.
artikel
476 Carrier range on finite, isolated molecular wires in a monomer crystalline matrix Spagnoli, S.
1999
1-10 1 p. 71-79
9 p.
artikel
477 CARS measurements of intra-mode V-V exchange rate constants of nitrogen Valyansky, S.I.
1990
1-10 1 p. 59-64
6 p.
artikel
478 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 1 p. 51-64
14 p.
artikel
479 CASSCF, CASPT2, and MRCI investigations of formyloxyl radical (HCOO.) Rauk, Arvi
1995
1-10 1 p. 73-80
8 p.
artikel
480 Cas SCF/CI calculations on electronic states of Br2 and Br2 + Balasubramanian, K.
1988
1-10 1 p. 41-50
10 p.
artikel
481 Cationic and anionic environments in LiTFSI-doped di-ureasils with application in solid-state electrochromic devices Nunes, S.C.
2008
1-10 1 p. 32-40
9 p.
artikel
482 Cationic Rydberg states observed in resonantly enhanced electron spectra of CS2 Hedin, L.
2009
1-10 1 p. 55-61
7 p.
artikel
483 Cation migration between two unequivalent sites in 4-cyano pyridine alkali metal ion pairs Pasimeni, Luigi
1978
1-10 1 p. 31-37
7 p.
artikel
484 CEPA calculations of potential energy surfaces for open-shell systems. Staemmler, Volker
1985
1-10 1 p. 141-153
13 p.
artikel
485 CEPA calculations of potential energy surfaces for open-shell systems. Staemmler, Volker
1985
1-10 1 p. 63-69
7 p.
artikel
486 Chain length effects in the excluded volume of polymer chains having a generalized molecular architecture Gupta, Santosh K.
1979
1-10 1 p. 45-50
6 p.
artikel
487 Channels of the exciton–exciton annihilation in one-dimensional aggregates at low temperature Malyshev, V.A.
2000
1-10 1 p. 31-38
8 p.
artikel
488 Chaotic motions in vibrating molecules: The generalized Hénon-Heiles model Ramaswamy, Ramakrishna
1983
1-10 1 p. 15-24
10 p.
artikel
489 Character and spectra of triplet states in short polyenes Minaev, Boris F.
1995
1-10 1 p. 19-31
13 p.
artikel
490 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 1 p. 24-32
9 p.
artikel
491 Characterization of supersonic beams of polyatomic molecules Bajaj, P.N.
1986
1-10 1 p. 41-48
8 p.
artikel
492 Charge and energy transfer by solitons in low-dimensional nanosystems with helical structure Brizhik, L.
2006
1-10 1 p. 259-266
8 p.
artikel
493 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 1 p. 160-169
10 p.
artikel
494 Charged substituents and the effect of their electric field on the electronic spectra of some aminocoumarins Druzhinin, S.I.
1991
1-10 1 p. 137-142
6 p.
artikel
495 Charge fluctuations in high-t c superconducting cuprates: A reformulation of the “symmetry dilemma” of the mean-field approximation Böhm, Michael C.
1989
1-10 1 p. 27-36
10 p.
artikel
496 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 1 p. 113-122
10 p.
artikel
497 Charge ordering in mixed-valence coordination compounds Klokishner, S.I.
1988
1-10 1 p. 11-20
10 p.
artikel
498 Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors Part II: Fermi energy characteristics and photoadmittance functions Bergmann, F.
1997
1-10 1 p. 157-166
10 p.
artikel
499 Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation Lorenz, W.
1997
1-10 1 p. 139-155
17 p.
artikel
500 Charge transfer effects in the pressure dependence of the ultraviolet absorption spectra of polyacene crystals Petelenz, Piotr
1989
1-10 1 p. 35-44
10 p.
artikel
501 Charge transfer in gas–surface scattering: the three electronic state system Guan, Daren
1998
1-10 1 p. 35-43
9 p.
artikel
502 Charge transfer in triaryl pyrylium cations. Theoretical and experimental study Markovitsi, Dimitra
1994
1-10 1 p. 69-80
12 p.
artikel
503 Charge transfer states of C2 in Kr clusters Fiedler, S.
2004
1-10 1 p. 91-95
5 p.
artikel
504 Charge-transfer transitions in crystalline anthracene and their role in photoconductivity Sebastian, L.
1983
1-10 1 p. 103-114
12 p.
artikel
505 Charge transport in electroactive polymers consisting of fixed molecular redox sites Dalton, E.F.
1990
1-10 1 p. 143-157
15 p.
artikel
506 Chemical and physical effects during spontaneous relaxation of a network-structure glass Sidebottom, D.
1990
1-10 1 p. 205-211
7 p.
artikel
507 Chemical and structural effects on the electronic transport in organic single crystals Pflaum, J.
2006
1-10 1 p. 152-159
8 p.
artikel
508 Chemical approach to neutral–ionic valence instability, quantum phase transition, and relaxor ferroelectricity in organic charge-transfer complexes Horiuchi, Sachio
2006
1-10 1 p. 78-91
14 p.
artikel
509 Chemical effects in diffusion and structure of zinc chloride in aqueous solution Easteal, A.J.
1983
1-10 1 p. 125-128
4 p.
artikel
510 Chemical generation of atomic iodine for the chemical oxygen–iodine laser. II. Experimental results Špalek, Otomar
2002
1-10 1 p. 147-157
11 p.
artikel
511 Chemically induced dynamic electron polarization (CIDEP) in systems involving radical-ion pairs generated from singlet exciplexes; observation of positive electron exchange interactions Batchelor, S.N.
1992
1-10 1 p. 29-45
17 p.
artikel
512 Chemical oxygen–iodine laser with atomic iodine generated via fluorine atoms Jirásek, Vít
2008
1-10 1 p. 14-22
9 p.
artikel
513 Chemi-ionization in alkali—heteronuclear halogen collisions: Role of excited molecular ion states Auerbach, D.J.
1973
1-10 1 p. 107-118
12 p.
artikel
514 Chemi-ionization in alkali-methylhalogen collisions Moutinho, A.M.C.
1974
1-10 1 p. 84-94
11 p.
artikel
515 Chemiluminescence mapping: pressure-pulse results for H(D) + F2 → HF(DF) + F Tardy, D.C.
1988
1-10 1 p. 89-93
5 p.
artikel
516 Chemiluminescence quasi-continua in collisions of Ca(1S), Sr(1S) and Mg∗(3P) atoms with I2 Kierzkowski, P.
1995
1-10 1 p. 131-138
8 p.
artikel
517 Chemiluminescent electron transfer reactions of C60 anion radical: energetics and spectral features Gupta, Neeraj
1994
1-10 1 p. 113-122
10 p.
artikel
518 Chiral discrimination: A model for the interaction between a helicoidal system and an amino acid molecule Alvira, E.
1991
1-10 1 p. 7-18
12 p.
artikel
519 Chirped pulse control of CsI fragmentation: an experimental possibility Amstrup, Bjarne
1994
1-10 1 p. 87-97
11 p.
artikel
520 Chirped pulse control of long range electron transfer Fainberg, B.D.
2004
1-10 1 p. 77-90
14 p.
artikel
521 CH3O( X 2E) production from 266 nm photolysis of methyl nitrite and reaction with NO Sanders, N.
1980
1-10 1 p. 17-22
6 p.
artikel
522 CIDNP in low magnetic fields Sarvarov, F.S.
1976
1-10 1 p. 41-47
7 p.
artikel
523 CIDNP of radical-ion pairs in arbitrary magnetic fields Korelenko, E.C.
1987
1-10 1 p. 45-52
8 p.
artikel
524 Circular birefringence and dichroism due to shear stress: Optical measurement of non-Newtonian viscosity Evans, M.W.
1991
1-10 1 p. 193-196
4 p.
artikel
525 Circular dichroism spectra and electronic rotatory strengths of the europium 4f→4f transitions in Na3[Eu(ODA)3]·2NaClO4·6H2O Berry, Mary T.
1988
1-10 1 p. 125-139
15 p.
artikel
526 Circular dichroism spectrum of gadolinium diglycolate single crystal Kundu, Tapanendu
1991
1-10 1 p. 95-101
7 p.
artikel
527 Cis-stilbene photochemistry: direct observation of product formation and relaxation through two-color UV pump-probe Raman spectroscopy Phillips, David L.
1993
1-10 1 p. 1-12
12 p.
artikel
528 CI treatment of charged TCNQ clusters in a localized basis: Connection with the extended Hubbard model Málek, J.
1985
1-10 1 p. 65-78
14 p.
artikel
529 Classical and QM/MM molecular dynamics simulations of Co2+ in water Armunanto, Ria
2003
1-10 1 p. 63-70
8 p.
artikel
530 Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H2 Clarke, Nick J.
1998
1-10 1 p. 9-27
19 p.
artikel
531 Classical aspects of the laser excitation of a Morse oscillator Gray, Stephen K.
1983
1-10 1 p. 67-78
12 p.
artikel
532 Classical dynamics of rotationally inelastic scattering of atoms with molecules Poppe, D.
1987
1-10 1 p. 21-31
11 p.
artikel
533 Classical kinetic theory of drift tube experiments involving molecular ion-neutral systems Viehland, Larry A.
1986
1-10 1 p. 1-16
16 p.
artikel
534 Classical S matrix: numerical applications to classically allowed chemical reactions Duff, James W.
1974
1-10 1 p. 1-23
23 p.
artikel
535 Classical trajectory analysis in atom—triatom collisions: Continuous quantization and scaling behaviour Ramaswamy, Ramakrishna
1984
1-10 1 p. 7-16
10 p.
artikel
536 Classical trajectory study of rotational relaxation of molecular hydrogen: Dependence on the potential surface Alper, Joseph S.
1975
1-10 1 p. 93-98
6 p.
artikel
537 Classical trajectory study of three-body direct photofragmentation of Cd(CH3)2. Comparison of sampling methods Pattengill, M.D.
1983
1-10 1 p. 59-66
8 p.
artikel
538 Classical trajectory study on an ab initio CI vibrotor potential energy surface for Li+-CO differential cross sections Thomas, L.D.
1978
1-10 1 p. 33-40
8 p.
artikel
539 Classical trajectory treatment of diatomic molecules reacting with solid surfaces: a study of mass effects Ron, Shlomo
1986
1-10 1 p. 45-54
10 p.
artikel
540 Cl+HD reaction dynamics from quasiclassical trajectory calculation on a new ab initio potential energy surface Shen, Changsheng
2001
1-10 1 p. 61-68
8 p.
artikel
541 Close-coupling methods applied to the calculation of bound-free bidimensional nonseparable Franck-Condon factors Atabek, O.
1977
1-10 1 p. 51-59
9 p.
artikel
542 Closed-loop quantum control utilizing time domain maps Biteen, Julie S
2003
1-10 1 p. 35-45
11 p.
artikel
543 Cluster distribution in a square-well gas Borštnik, B.
1988
1-10 1 p. 65-71
7 p.
artikel
544 13C NMR relaxation in neutral and charged tetra-n-alkyl compounds Bordes, B
1998
1-10 1 p. 51-63
13 p.
artikel
545 Coherence transfer processes in vibrational relaxation of polyatomic molecules in condensed media Freed, Karl F.
1979
1-10 1 p. 51-64
14 p.
artikel
546 Coherent control of linear and nonlinear multiphoton excitation of molecular vibrations Paramonov, G.K.
1993
1-10 1 p. 169-180
12 p.
artikel
547 Coincidence studies of fluorescence and dissociation processes in electronic excited states of I2 +, Br2 +, IBr+ and ICl+ Tuckett, R.P.
1985
1-10 1 p. 43-57
15 p.
artikel
548 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 1 p. 31-40
10 p.
artikel
549 Collisional deactivation of highly vibrationally excited hexafluorobenzene molecules Ichimura, Teijiro
1987
1-10 1 p. 111-116
6 p.
artikel
550 Collisional effects on the fluorescence of p-fluorotoluene vapour Brown, Robert G.
1975
1-10 1 p. 41-51
11 p.
artikel
551 Collisional energy transfer to methane by octupole coupliing Lawley, K.P.
1978
1-10 1 p. 39-46
8 p.
artikel
552 Collisional ionization of highly excited neon atoms by benzene-d 6 and carbon suboxide Nonaka, Hidehiko
1989
1-10 1 p. 165-171
7 p.
artikel
553 Collisionally induced intramultiplet mixing of Sr(53P J ) metastable states by He, Ar and Sr ground state atoms Redondo, C.
2001
1-10 1 p. 123-134
12 p.
artikel
554 Collisional nature of the magnetic field quenching of the acetylene A ̃ 1 A u state Makarov, Vladimir I.
2001
1-10 1 p. 101-110
10 p.
artikel
555 Collisional perturbation of regular and irregular intramolecular dynamics: A model quantum-mechanical study Nalewajski, Roman F.
1984
1-10 1 p. 117-132
16 p.
artikel
556 Collisional survival of antiprotonic helium atoms Sauge, Sébastien
2001
1-10 1 p. 47-61
15 p.
artikel
557 Collision dominated relaxation of electrons in a weakly ionized nitrogen plasma after abrupt change of the electric field Capitelli, M.
1983
1-10 1 p. 1-7
7 p.
artikel
558 Collision dynamics of excited NaK. I. Reactive KNaK and elastic HeNaK collisions McCormack, J.
1980
1-10 1 p. 121-130
10 p.
artikel
559 Collision dynamics of non-integrable systems: Validity of classical scaling Ramaswamy, Ramakrishna
1984
1-10 1 p. 17-25
9 p.
artikel
560 Collision energy effect on the H′+BrH(ν =0, j =0)→H′Br+H reaction: A quasi-classical trajectory study Liang, Jing-Juan
2012
1-10 1 p. 180-184
5 p.
artikel
561 Collision-induced absorption in He + Xe: Quantum-mechanical and classical approach Raczyński, A.
1984
1-10 1 p. 129-134
6 p.
artikel
562 Collision-induced dissociation of UO+ and UO+ 2 Armentrout, P.B.
1980
1-10 1 p. 21-25
5 p.
artikel
563 Collision-induced emission of O2 (a 1Δg → X 3Σg −) in the gas phase Wildt, J.
1992
1-10 1 p. 127-140
14 p.
artikel
564 Collisionless infrared multiphoton production of electronically excited parent molecules Karny, Z.
1979
1-10 1 p. 15-20
6 p.
artikel
565 Collision rotational transfers in NaH A1Σ+ by He, Ar or H2 (and in KH A1Σ+ by H2) Giroud, M.
1985
1-10 1 p. 127-135
9 p.
artikel
566 Collision theory thermal rate constants for H + H2 reactions on the SLTH potential surface Gardiner Jr., William C.
1987
1-10 1 p. 1-9
9 p.
artikel
567 Colloidal structure and properties of bovine serum globulin aqueous systems using SAXS and rheological measurements Matsumoto, Takayoshi
1996
1-10 1 p. 167-172
6 p.
artikel
568 Comment on “Calculation of excitation profiles from the vibronic theory of Raman scattering” Zgierski, Marek Z.
1977
1-10 1 p. 143-144
2 p.
artikel
569 Comment on “Theoretical investigation of the coexistence of α and β-nitric acid trihydrates (NAT) molecular conformations” [Chem. Phys. 324 (2006) 210] Herrero, Víctor J.
2006
1-10 1 p. 186-188
3 p.
artikel
570 Comments on the mode coupling theory for structural relaxation Götze, W.
1996
1-10 1 p. 47-59
13 p.
artikel
571 Comparative pseudopotential and all-electron ab initio studies of mono-, hexa- and octahydrate halogenide complexes Kuznetsov, An.M.
1994
1-10 1 p. 47-53
7 p.
artikel
572 Comparative theoretical study of the structure and bonding of propyne on the Pt(111) and Pd(111) surfaces Valcárcel, Ana
2005
1-10 1 p. 33-39
7 p.
artikel
573 Comparison and analysis of rotationally inelastic collision models describing the Q-branch collapse at high density Bulgakov, Yu.I.
1993
1-10 1 p. 145-155
11 p.
artikel
574 Comparison between intramolecular proton transfers involving the carboxylate and alkoxide groups Bosch, Enric
1990
1-10 1 p. 77-83
7 p.
artikel
575 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 1 p. 39-46
8 p.
artikel
576 Comparison of the effects of symmetric versus asymmetric H bonding on 2H and 17O nuclear quadrupole coupling constants: Application to formic acid and the hydrogen diformate anion Gready, Jill E.
1982
1-10 1 p. 1-17
17 p.
artikel
577 Comparison of theoretical approaches for computing the bond length alternation of polymethineimine Jacquemin, Denis
2007
1-10 1 p. 79-85
7 p.
artikel
578 Comparison of the rate constants for VV energy transfer in the gas and liquid phases Madden, P.A.
1987
1-10 1 p. 43-52
10 p.
artikel
579 Competitive electron transfers in model triad systems: continuun model approach Motylewski, T.
1996
1-10 1 p. 193-206
14 p.
artikel
580 Complete basis set limit ionization potentials of O3 and NO2 using the multiconfigurational spin tensor electron propagator method (MCSTEP) McKellar, Alexander J.
1998
1-10 1 p. 1-9
9 p.
artikel
581 Complete double photoionisation spectrum of NO Eland, John H.D
2003
1-10 1 p. 27-34
8 p.
artikel
582 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 1 p. 155-182
28 p.
artikel
583 Complexation of aliphatic amines with carbazole in the So and S1 states: Solvent effect on the deactivation of the excited complex Bortolus, Pietro
1997
1-10 1 p. 99-108
10 p.
artikel
584 Complex Franck—Condon overlap integral in nonradiative decays Fujimura, Yuichi
1979
1-10 1 p. 89-96
8 p.
artikel
585 Computational aspects of motional symmetry in nuclear magnetic resonance spectroscopy Kristensen, J.H.
2001
1-10 1 p. 109-128
20 p.
artikel
586 Computational study of formamide–water complexes using the SAPT and AIM methods Parreira, Renato L.T.
2006
1-10 1 p. 96-110
15 p.
artikel
587 Computational study of keto–enol equilibria of tropolone in gas and aqueous solution phase Paine, S.W.
2006
1-10 1 p. 61-66
6 p.
artikel
588 Computational study of the structural and vibrational properties of ten and twelve vertex closo-carboranes Salam, A.
2003
1-10 1 p. 45-61
artikel
589 Computations on nineteen isolated-pentagon-rule isomers of C86 Slanina, Zdeněk
1996
1-10 1 p. 13-18
6 p.
artikel
590 Computed potential hypersurface (including electron correlation) of the system Li+/H2 Kutzelnigg, W.
1973
1-10 1 p. 27-44
18 p.
artikel
591 Computed static potentials for AH n molecules: a scattering-orintated form Gianturco, F.A.
1976
1-10 1 p. 111-120
10 p.
artikel
592 Computer modelling of radiationless energy transport in disordered donor—acceptor systems Haritonov, K.Yu.
1992
1-10 1 p. 69-74
6 p.
artikel
593 Computer simulation and equation of state study of the Boyle and inversion temperature of simple fluids Heyes, David M.
1992
1-10 1 p. 61-68
8 p.
artikel
594 Computer simulation of the infrared spectrum of hydrogen bonded crystalline formic acid Flakus, Henryk T.
1980
1-10 1 p. 79-89
11 p.
artikel
595 Computer simulation of the pulsed Cl + HBr chemical laser: Effects of rotational nonequilibrium Keren, E.
1977
1-10 1 p. 1-19
19 p.
artikel
596 Computer simulation of the water/platinum interface. Dynamical results Spohr, E.
1990
1-10 1 p. 87-94
8 p.
artikel
597 Computer simulation studies of anisotropic systems. XI. Second- and fourth-rank molecular interactions Fuller, G.J.
1985
1-10 1 p. 105-115
11 p.
artikel
598 Concentration-dependent absorption and emission behaviour of a pyrimidonecarbocyanine dye in hexafluoroisopropanol Penzkofer, A.
1987
1-10 1 p. 143-150
8 p.
artikel
599 Concentration-modulated absorptiion spectroscopy.I Langley, A.J.
1986
1-10 1 p. 117-125
9 p.
artikel
600 Concentration-modulated absorption spectroscopy. II. temporal variation of gain Beaman, R.A.
1986
1-10 1 p. 127-132
6 p.
artikel
601 Concurrent photodissociation and multiphoton ionization processes in CH3I from 266–307 nm Jiang, Yifeng
1986
1-10 1 p. 171-178
8 p.
artikel
602 Condensation effects in K-shell excitation and de-excitation of solid neon Romberg, R
2003
1-10 1 p. 69-79
11 p.
artikel
603 Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations Sumi, Hitoshi
1996
1-10 1 p. 9-27
19 p.
artikel
604 Configuration interaction study of the excited states of CO adsorbed on a Pt97 cluster Buenker, R.J.
2003
1-10 1 p. 115-124
10 p.
artikel
605 Configuration mixings and line intensities in CdH and HgH A 2Π-X 2Σ+ transitions Nedelec, O.
1989
1-10 1 p. 137-148
12 p.
artikel
606 Confined planar mesoscopic suspensions in external field: Brownian dynamics simulations Brańka, A.C.
1996
1-10 1 p. 51-56
6 p.
artikel
607 Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model Scharnagl, Christina
1996
1-10 1 p. 231-246
16 p.
artikel
608 Conformational interconversions in supersonic jets: Matrix IR spectroscopy and model calculations Felder, Peter
1982
1-10 1 p. 9-25
17 p.
artikel
609 Conformations and vibrational properties of disulfide bridges: Potential energy distribution in the model system diethyl disulfide Ackermann, K.R.
2009
1-10 1 p. 81-84
4 p.
artikel
610 Connecting level statistics and reaction dynamics: Mode selective decay of resonant states for HXXH-type molecules Hartke, B.
1991
1-10 1 p. 63-84
22 p.
artikel
611 Consistent force field modeling of matrix isolated molecules. V. Minimum energy path potential to the conformer conversion of 1,2-difluoroethane: Ar364, ab initio calculation of electric multipole moments and electric polarization contribution to the conversion barrier Gunde, R.
1990
1-10 1 p. 37-65
29 p.
artikel
612 Construction of molecular potential energy curves by an optimization method Wang, J.
1991
1-10 1 p. 13-18
6 p.
artikel
613 Contact reactions of randomly walking particles. Rotational averaging of chemical anisotropy Burshtein, A.I.
1986
1-10 1 p. 1-18
18 p.
artikel
614 Contents 2010
1-10 1 p. iii-vii
nvt p.
artikel
615 Contents 2012
1-10 1 p. iii-viii
nvt p.
artikel
616 Contents 2011
1-10 1 p. iii-v
nvt p.
artikel
617 Contents 2011
1-10 1 p. v-
1 p.
artikel
618 Contents 2012
1-10 1 p. iii-v
nvt p.
artikel
619 Contents 2012
1-10 1 p. iii-x
nvt p.
artikel
620 Continuous time random walk and multirate mass transfer modeling of sorption Margolin, Gennady
2003
1-10 1 p. 71-80
10 p.
artikel
621 Continuous time random walk approach to dynamic percolation Hilfer, R.
1988
1-10 1 p. 275-287
13 p.
artikel
622 Contribution of correlation and relaxation to generalized overlaps for outer-valence ionization Casida, Mark E.
1989
1-10 1 p. 47-63
17 p.
artikel
623 Contribution of dielectric friction to the rotational reorientation time Kawski, A.
2010
1-10 1 p. 52-57
6 p.
artikel
624 Contributions from dipolar electronically excited molecules and mobile charge carriers to photoinduced transient dielectric loss of solutions of some aniline derivatives Weisenborn, P.C.M.
1988
1-10 1 p. 147-155
9 p.
artikel
625 σ−π Contributions in metal-co bond: A theoretical study of RhCO and PdCO Koutecký, Jaroslav
1985
1-10 1 p. 87-101
15 p.
artikel
626 Contribution to the theory of time-resolved microwave-induced optical nuclear polarization. Theoretical extremum values for the induced polarization Colpa, J.P.
1988
1-10 1 p. 29-37
9 p.
artikel
627 Controlled dissociation of I2 via optical transitions between the X and B electronic states Somlói, József
1993
1-10 1 p. 85-98
14 p.
artikel
628 Control of chemical reaction involving dissolved oxygen using magnetic field gradient Aoyagi, Satoka
2006
1-10 1 p. 137-141
5 p.
artikel
629 Control of tunneling reactions with an external field in a four-level system: A general Redfield approach Morillo, M.
1996
1-10 1 p. 157-175
19 p.
artikel
630 Convergence of an improved CIPSI algorithm Evangelisti, Stefano
1983
1-10 1 p. 91-102
12 p.
artikel
631 Convergence of the multicenter B-spline DFT approach for the continuum Toffoli, D
2002
1-10 1 p. 25-43
19 p.
artikel
632 Coordination structures and vibrational frequencies of Li and Na metaphosphates and nitrates. An ab initio SCF study Ramondo, F.
1990
1-10 1 p. 27-35
9 p.
artikel
633 Core excitations in MgO: a DFT study with cluster models Stener, M.
2005
1-10 1 p. 49-58
10 p.
artikel
634 Core excitations of symmetrical aromatic molecules. Specific correlations in the valence shell and localization in the core shells Schwarz, W.H.E.
1987
1-10 1 p. 73-89
17 p.
artikel
635 Core ionization of nitrosobenzene-dimer compounds: phenazon-di-N-oxide Sjögren, B.
1987
1-10 1 p. 101-112
12 p.
artikel
636 Core-level anionic photofragmentation of OCS Dang, L.T.N.
2003
1-10 1 p. 45-49
5 p.
artikel
637 Core level photoionization mass spectroscopy of the fluoromethylsilanes, Si(CH3) x F4-x (x = 0–4), around the Si 2p ionization edges Bozek, J.D.
1991
1-10 1 p. 171-189
19 p.
artikel
638 Correlating substituent parameter values to electron transport properties of molecules Vedova-Brook, Natalie
2004
1-10 1 p. 89-95
7 p.
artikel
639 Correlation between structural studies and third order NLO properties of selected new quinolinium semi-organic compounds Bouchouit, K.
2010
1-10 1 p. 1-7
7 p.
artikel
640 Correlation between the glass transition temperatures and multipole moments for polymers Yu, Xinliang
2007
1-10 1 p. 115-118
4 p.
artikel
641 Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds Stoyanova, A.
2002
1-10 1 p. 1-6
6 p.
artikel
642 Correlation diagram for rigid XYX and nonrigid three-body systems Kellman, Michael E.
1980
1-10 1 p. 89-95
7 p.
artikel
643 Correlation effects in singlet biradical species Yamaguchi, Kizashi
1977
1-10 1 p. 35-42
8 p.
artikel
644 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 1 p. 21-32
12 p.
artikel
645 Correlation of early orientational ordering of engineered λ6–85 structure with kinetics and thermodynamics Larios, Edgar
2006
1-10 1 p. 45-53
9 p.
artikel
646 Correlations between the Rayleigh ratio and the wavelength for toluene and benzene Wu, Hua
2010
1-10 1 p. 44-47
4 p.
artikel
647 Corresponding states relations of linear dimethysiloxane oligomers. I. Pure components Dickinson, Eric
1975
1-10 1 p. 17-22
6 p.
artikel
648 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 1 p. 161-
1 p.
artikel
649 Corrigendum to: “Self-assembling characteristics of 5-(α-acetamido-α-benzyl)methyl-5′-methyl imidazolidine-2,4-dione – A hydantoin drug” [Chem. Phys. 291 (2003) 195–205] Krishnan, Ramya Santhana Gopala
2003
1-10 1 p. 167-
1 p.
artikel
650 Coset potential approach to the vibrational dissociation: the case study of DCN and HCN Zheng, Dunsheng
2003
1-10 1 p. 121-127
7 p.
artikel
651 Coupled channel calculations on rovibrational excitation of H2O in collisions with H atoms Bissonnette, C.
1993
1-10 1 p. 23-36
14 p.
artikel
652 Coupled channel calculations on the vibrational predissociation of argon-para-difluorobenzene Tiller, A.R.
1989
1-10 1 p. 125-147
23 p.
artikel
653 Coupled cluster studies. IV. Analysis of the correlated wavefunction in canonical and localized orbital basis for ethylene, carbon monoxide, and carbon dioxide Förner, Wolfgang
1987
1-10 1 p. 21-35
15 p.
artikel
654 Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points Kofranek, Manfred
1988
1-10 1 p. 137-153
17 p.
artikel
655 Coupled solutions of the collosional Boltzmann equations for electrons and the heavy particle master equation in nitrogen Capitelli, M.
1981
1-10 1 p. 29-42
14 p.
artikel
656 Coupling of radial and angular correlations in two-electron atoms Moiseyev, N.
1975
1-10 1 p. 67-72
6 p.
artikel
657 12C16O2: Vibrational population distributions in CO2N2, CO2He and CO2N2He dc discharges from high-information emission fourier spectra Bailly, D.
1985
1-10 1 p. 101-118
18 p.
artikel
658 CPA theory with correlative effects: application to the ν s(PF3) stretch of PF3/Pt(111) Greene-Johnson, Willetta
1995
1-10 1 p. 9-18
10 p.
artikel
659 Critical phenomena in electrical resistance of binary liquids: A study of the frequency dependence Kumar, Anil
1979
1-10 1 p. 131-139
9 p.
artikel
660 Crossed-beam study of the reactions of H+ 2 with D2 and D+ 2 with H2 Krenos, J.R.
1976
1-10 1 p. 109-116
8 p.
artikel
661 Cross section of quadrupolar traps for charge carriers in molecular crystals Munn, R.W.
1984
1-10 1 p. 113-116
4 p.
artikel
662 Cross sections and rate coefficients for electronic excitation of the triplet states of the hydrogen molecule in different vibrational levels Cacciatore, M.
1981
1-10 1 p. 67-72
6 p.
artikel
663 Cross sections for rotational/vibrational transitions in HF-HF collisions: effect of initial state Billing, G.D.
1987
1-10 1 p. 95-104
10 p.
artikel
664 Cross sections for translational and rotational relaxation in Li/Li2 and Na/Na2 molecular beams Gundlach, G.
1988
1-10 1 p. 131-142
12 p.
artikel
665 Cross sections, rate constants, and Maxwellian averages Schlier, Christoph G.
1988
1-10 1 p. 73-80
8 p.
artikel
666 Cryospectroscopic and ab initio anharmonic studies of acetylene–trimethylamine H-bonded complex Rutkowski, K.S.
2010
1-10 1 p. 92-100
9 p.
artikel
667 Crystal field splittings of continuum d orbitals. A comparative study on the L2,3 edge X-ray absorption spectra of Si, P and S compounds Liu, Z.F.
1992
1-10 1 p. 133-144
12 p.
artikel
668 Crystalline ordering in lattice models of hard rods with nearest neighbour attraction Heilmann, Ole J.
1977
1-10 1 p. 119-123
5 p.
artikel
669 Crystal optics and raman intensities Munn, R.W.
1978
1-10 1 p. 1-9
9 p.
artikel
670 Crystals field energy levels and transition line strengths of neodymium in trigonal Na3[Nd(oxydiacetate)3]·2NaClO4·6H2O May, P.Stanley
1989
1-10 1 p. 123-138
16 p.
artikel
671 CT-excitons and magnetic field effect in polydiacetylene crystals Frankevich, E.L.
1992
1-10 1 p. 1-6
6 p.
artikel
672 CuBr chemiluminescence from the Cu* (2D sol3 2 , 5 2 ) + Br2 reaction Kowalczyk, P.
1992
1-10 1 p. 73-83
11 p.
artikel
673 Cu K-edge XANES of (La1-x Sr x )2CuO4, YBa2Cu3O y and related Cu oxides. valence, structure and final-state effects on 1s-4pπ and 1s-4pσ absorption Kosugi, Nobuhiro
1989
1-10 1 p. 149-160
12 p.
artikel
674 DC photoconduction action spectra in thin film polymer crystals of 3 and 4BCMU polydiacetylene Donovan, K.J.
1999
1-10 1 p. 61-70
10 p.
artikel
675 Decay of atomic systems in a strong electric field. Negative ion and hydrogen atom Guschina, N.A.
1975
1-10 1 p. 23-31
9 p.
artikel
676 Decay of vibrationally excited states of the Ne…Cl2 complex Halberstadt, N.
1989
1-10 1 p. 83-92
10 p.
artikel
677 Decay pathway determination of even-size dicationic silver clusters: Ag16 2+ and Ag18 2+ revisited by pre-precursor selection and sequential decay Krückeberg, S
2000
1-10 1 p. 105-113
9 p.
artikel
678 Decays, recurrences, and large molecule behavior in the theory of radiationless transitions Gelbart, William M.
1975
1-10 1 p. 116-122
7 p.
artikel
679 Decomposition of liquid hexamethyldisiloxane induced by CO2 laser pulse heating of carbon particles Tumanova, L.M.
2002
1-10 1 p. 31-39
9 p.
artikel
680 Decomposition of the interaction energy with counterpoise corrections to the basis set superposition error for dimers in solution. Method and application to the hydrogen fluoride dimer Cammi, R.
1988
1-10 1 p. 63-74
12 p.
artikel
681 Delayed luminescence of the ladder-type methyl-poly(para-phenylene) Romanovskii, Yu.V
1999
1-10 1 p. 29-39
11 p.
artikel
682 Densities of states and band widths of excitons in anthracene microcrystallites embedded in PMMA Matsui, A.H.
1995
1-10 1 p. 167-174
8 p.
artikel
683 Density effects on depolarized raman scattering in liquids Schroeder, J.
1978
1-10 1 p. 11-16
6 p.
artikel
684 Density functional based calculations for Fe n (n⩽32) Köhler, Christof
2005
1-10 1 p. 23-31
9 p.
artikel
685 Density functional calculations of beryllium clusters Be n , n=2–8 Beyer, Martin K.
2000
1-10 1 p. 15-23
9 p.
artikel
686 Density functional calculations on protonated and deprotonated thiouracils and their complexes with water Kryachko, Eugene S.
2001
1-10 1 p. 21-35
15 p.
artikel
687 Density functional estimates of charge transfer and chemical potentials in hydrogen halides and mixed halides Alonso, J.A.
1983
1-10 1 p. 121-124
4 p.
artikel
688 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 1 p. 73-89
17 p.
artikel
689 Density functional theory calculation of refractive indices of liquid-forming silicon oil compounds Lee, Sanghun
2012
1-10 1 p. 40-45
6 p.
artikel
690 Density matrix approach to the hot-electron stimulated photodesorption Kühn, Oliver
1996
1-10 1 p. 117-126
10 p.
artikel
691 Density of levels in vibrational spectra of molecules. Coupled Morse oscillators Bancewicz, M.
1996
1-10 1 p. 93-100
8 p.
artikel
692 Dependence of Rabi-splitting on the spatial position of the optically active layer in organic microcavities in the strong coupling regime Schouwink, P
2002
1-10 1 p. 113-120
8 p.
artikel
693 Dephasing and diffusional linewidths in spectra of doped amorphous solids: Comparison of photon echo and single molecule spectroscopy data for terrylene in polyethylene Vainer, Yu.G.
1996
1-10 1 p. 101-110
10 p.
artikel
694 Depolarization of fluorescence of polyatomic molecules in noble gas solvents Blokhin, A.P.
2001
1-10 1 p. 69-76
8 p.
artikel
695 Design of substituted semibullvalenes suitable for control of the cope rearrangement by two ps IR laser pulses Dohle, M.
1995
1-10 1 p. 91-97
7 p.
artikel
696 Detailed balance and intensive parameters for the Ising model at non-equilibrium. I. Computer simulation results Alexandrowicz, Z.
1978
1-10 1 p. 101-107
7 p.
artikel
697 Detailed balance and intensive parameters for the Ising model at non-equilibrium. II. Theoretical estimation Alexandrowicz, Z.
1978
1-10 1 p. 109-114
6 p.
artikel
698 Detailed dynamics of three-body recombination of ions in central collisions Kabanov, Dmitrii B.
2012
1-10 1 p. 149-159
11 p.
artikel
699 Determination of a non-local pseudo-potential for electron—neon-atom interaction Valance, A.
1985
1-10 1 p. 63-72
10 p.
artikel
700 Determination of bifurcation in chemical systems. An experimental method Maselko, Jerzy
1982
1-10 1 p. 17-26
10 p.
artikel
701 Determination of FeCO geometry and heme rigidity in carbonmonoxyhemoglobin using femtosecond IR spectroscopy (Chemical Physics 158 (1991) 409–419) Locke, B.
1995
1-10 1 p. 155-
1 p.
artikel
702 Determination of femtosecond lifetimes of higher excited singlet states by means of transient photophysical hole-burning. The S2 state of phenanthrene Dick, Bernhard
1986
1-10 1 p. 131-143
13 p.
artikel
703 Determination of mean nuclear magnetic relaxation rates in multiphase systems in slow exchange Kudryavtsev, A.B.

1-10 1 p. 53-62
artikel
704 Determination of potassium ion-small-molecule potentials from total cross section measurements Budenholzer, Frank E.
1986
1-10 1 p. 171-186
16 p.
artikel
705 Determination of quantum-state-specific gas—surface energy transfer and adsorption probabilities as a function of kinetic energy Rettner, C.T.
1993
1-10 1 p. 157-169
13 p.
artikel
706 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 1 p. 141-159
19 p.
artikel
707 Determination of reduced Hamiltonian parameters for the CD3OH isotopomers of methanol Wang, Li
2003
1-10 1 p. 23-29
7 p.
artikel
708 Determination of saturated organic vapour concentrations by a spectroscopic method Ilharco, Laura M.
1987
1-10 1 p. 137-144
8 p.
artikel
709 Determination of single-site absorption spectrum in dye-doped disordered materials by double site-selective spectroscopy Ichino, Y.
2000
1-10 1 p. 63-70
8 p.
artikel
710 Determination of the electronic density of states at a nanostructured TiO2/Ru-dye/electrolyte interface by means of photoelectron spectroscopy Westermark, Karin
2002
1-10 1 p. 157-165
9 p.
artikel
711 Determination of the iron-carbonyl bond geometry of carboxyprotoheme in solution using picosecond infrared-optical photoselection Hansen, Patricia A.
1989
1-10 1 p. 49-62
14 p.
artikel
712 Determination of the molecular distribution in anisotropic media by polarized absorption and emission spectroscopy Margulies, Leon
1978
1-10 1 p. 89-105
17 p.
artikel
713 Determination of the radiative lifetimes of nine ion-pair states of I2 Jewsbury, P.J.
1991
1-10 1 p. 103-109
7 p.
artikel
714 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 1 p. 35-46
12 p.
artikel
715 Determinations of large ZFS D-parameters in 2,4-, 2,5- and 3,4-dimethybenzaldehydes dispersed in durene single crystals Després, A.
1977
1-10 1 p. 121-130
10 p.
artikel
716 Deuteration effect on the structural phase transitions of hydrogen bonded-dielectric T1H2AsO4: a vibrational study Pasquier, B.
1997
1-10 1 p. 33-50
18 p.
artikel
717 Deuterium isotope effect on swelling process in aqueous polymer gels Shirota, Hideaki
1999
1-10 1 p. 115-121
7 p.
artikel
718 Deuteron NMR spin–lattice relaxation of NH3D+ ions in partially deuterated (NH4)2SnCl6 and NH4ClO4 Birczyński, A.
2006
1-10 1 p. 119-126
8 p.
artikel
719 Development and optimization of shaped NMR pulses for the study of coupled spin systems Ewing, Brent
1990
1-10 1 p. 121-129
9 p.
artikel
720 Deviations from Kleinman symmetry of the second-order polarizability tensor in molecules with low-lying perpendicular electronic bands Wortmann, Rüdiger
1993
1-10 1 p. 99-108
10 p.
artikel
721 DFT and CCSD(T) study of the A 2 H 3 − (A=Al,Ga) isomerization, [Ga2(μ-H)(μ-H2)]− and [Ga2(μ-H3)]− unprecedented hydrido-bimetallic structures Guermoune, Abdeladim
2007
1-10 1 p. 1-9
9 p.
artikel
722 DFT and experimental investigation of catecholate derivatives of benzoic acid and pyridine Hatzipanayioti, Despina
2008
1-10 1 p. 119-129
11 p.
artikel
723 DFT/B3LYP study of tocopherols and chromans antioxidant action energetics Klein, Erik
2007
1-10 1 p. 51-57
7 p.
artikel
724 DFT investigation of endohedral boron oxide nanocapsules: Encapsulation of He, Ne, Ar, H, N, and Cl atoms Dabbagh, Hossein A.
2012
1-10 1 p. 86-95
10 p.
artikel
725 DFT studies of pyridine corrosion inhibitors in electrical double layer: solvent, substrate, and electric field effects Lashkari, M
2004
1-10 1 p. 131-137
7 p.
artikel
726 DFT studies on helix formation in N-acetyl-(L-alanyl) n -N ′-methylamide for n=1–20 Elstner, M.
2000
1-10 1 p. 15-27
13 p.
artikel
727 DFT study of one-dimensional lithium lattices as nanowires Sabzyan, Hassan
2004
1-10 1 p. 141-152
12 p.
artikel
728 DFT theoretical, spectroscopic and X-ray diffraction studies on 4-methyl-2′-hydroxy-4′-alkyloxyazobenzenes Pająk, J.
2001
1-10 1 p. 15-21
7 p.
artikel
729 Diamagnetic currents in the closed-shell electronic structures in sp3-type hydrocarbons Kato, Takashi
2008
1-10 1 p. 1-13
13 p.
artikel
730 Diastereoisomers as probes for solvent reorganizational effects on IVCT in dinuclear ruthenium complexes D’Alessandro, Deanna M.
2006
1-10 1 p. 8-25
18 p.
artikel
731 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 1 p. 73-85
13 p.
artikel
732 Dielectric behaviour of a molecular liquid mixture in the one-phase precritical region Hollecker, Michelle
1975
1-10 1 p. 99-105
7 p.
artikel
733 Dielectric breakdown and space charge effects in molecular crystal stark spectroscopy Chen, F.P.
1974
1-10 1 p. 60-71
12 p.
artikel
734 Dielectric image effects in environmental reorganization free energies and inter-reactant work terms of metalloprotein electron transfer reactions Kharkats, Yurij I.
1990
1-10 1 p. 117-129
13 p.
artikel
735 Dielectric properties of a model fluid with the Monte Carlo method Jansoone, V.M.
1974
1-10 1 p. 78-86
9 p.
artikel
736 Dielectric relaxation in cyano complexes of the K4Me11(CN)6·3H2O type. II. Isotopic effect Kołłodziej, H.A.
1983
1-10 1 p. 75-80
6 p.
artikel
737 Dielectric relaxation models applied of the dynamics of myoglobin as determined by Mössbauer spectroscopy Chang, I.
1996
1-10 1 p. 221-229
9 p.
artikel
738 Dielectric relaxation of Amines by inversion and internal rotation Gilchrist, John
1982
1-10 1 p. 1-17
17 p.
artikel
739 Dielectric relaxation of water in the water-methylcellulose system Pissis, P.
1988
1-10 1 p. 165-173
9 p.
artikel
740 Dielectric study of sorbed water in galactose Pissis, P.
1986
1-10 1 p. 95-104
10 p.
artikel
741 Dielectric theory of weak charge-transfer crystals. I. Effective polarizabilities Munn, R.W.
1989
1-10 1 p. 1-14
14 p.
artikel
742 Dielectric theory of weak charge-transfer crystals. II. Polarization energies Munn, R.W.
1989
1-10 1 p. 15-26
12 p.
artikel
743 Differential and absolute-total cross section measurements on elastic Ne* (3P0,2)-He collisions at 64 meV Féron, P.
1988
1-10 1 p. 155-160
6 p.
artikel
744 Differential ring proton NMR shieldings and cyclic stabilization energies Chesnut, D.B
1998
1-10 1 p. 1-11
11 p.
artikel
745 Differential scattering cross sections for collisions of alkali ions and atoms. van Resandt, R.W.Wijnaendts
1977
1-10 1 p. 107-119
13 p.
artikel
746 Differential scattering of state-selected molecules in distorted wave and sudden approximation Reuss, J.
1980
1-10 1 p. 139-146
8 p.
artikel
747 Diffusion and relaxation of triplet excitations in binary organicglasses Lange, J.
1988
1-10 1 p. 47-58
12 p.
artikel
748 Diffusion controlled reaction rate of molecules with anisotropic reactivity and interaction potential Shushin, A.I.
1988
1-10 1 p. 91-102
12 p.
artikel
749 Diffusion-controlled reaction rate to an active site Traytak, S.D.
1995
1-10 1 p. 1-7
7 p.
artikel
750 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 1 p. 101-111
11 p.
artikel
751 Diffusion of molecular oxygen in pairs (anthracene-O2) in glassy matrices Korolev, V.V.
1991
1-10 1 p. 129-136
8 p.
artikel
752 Diffusive excitation energy transport in quasi-one-dimensional crystals with traps and in related systems Onipko, A.I.
1988
1-10 1 p. 99-114
16 p.
artikel
753 Dimerisation processes of triaryl pyrylium salts Lampre, Isabelle
1996
1-10 1 p. 107-116
10 p.
artikel
754 Dimethylaminocyanobiphenyl (DMACB): A new optimized molecular crystal for quadratic nonlinear optics in the visible Zyss, J.
1991
1-10 1 p. 125-135
11 p.
artikel
755 Diphosphene (HPPH) and phosphino-phosphinidene (H2PP): An ab initio SCF and CI study of stability and electronic structure Ha, Tae-Kyu
1984
1-10 1 p. 23-29
7 p.
artikel
756 Dipolar-induced dephasing of triplet electron spins Glasbeek, M.
1984
1-10 1 p. 111-120
10 p.
artikel
757 Dipole moment differences of polar dyes in polymeric matrices: Stark effect and photochemical hole burning. II Altmann, R.B.
1996
1-10 1 p. 167-174
8 p.
artikel
758 Dipole moments and polarizabilities of azulene in its ground state and first and second excited singlet state Baumann, W.
1977
1-10 1 p. 17-24
8 p.
artikel
759 Dipole polarizability and hyperpolarizability of FCN, CICN, BrCN and ICN Maroulis, George
1997
1-10 1 p. 67-76
10 p.
artikel
760 Direct ab initio dynamics studies on hydrogen-abstraction reactions of 1,1,1-trifluoroethane with hydroxyl radical Sheng, Li
2002
1-10 1 p. 1-8
8 p.
artikel
761 Direct ab initio dynamics study on the largest methylgermane reaction GeH(CH3)3+H→Ge(CH3)3+H2 Wu, Yang
2002
1-10 1 p. 1-7
7 p.
artikel
762 Direct chiral discrimination in NMR spectroscopy Buckingham, A.D.
2006
1-10 1 p. 111-116
6 p.
artikel
763 Direct dynamics study on hydrogen abstraction reaction of CF3CHOHCF3 with OH radical Wang, Ying
2007
1-10 1 p. 28-36
9 p.
artikel
764 Directed picosecond excitation transport in purple photosynthetic bacteria Freiberg, A.
1988
1-10 1 p. 227-235
9 p.
artikel
765 Direct measurement of rate constants for the reactions of CH and CD with HCN and DCN Zabarnick, Steven
1991
1-10 1 p. 109-115
7 p.
artikel
766 Direct modification of orientational opacity function for the CF3H+Ar(3P) reaction using information entropy Fukunishi, Y.
1993
1-10 1 p. 85-90
6 p.
artikel
767 Direct observation of excimer formation in anthracene and 9,9′-bianthryl Kobayashi, T.
1979
1-10 1 p. 105-110
6 p.
artikel
768 Direct observation of rotational diffusion by picosecond spectroscopy Fleming, G.R.
1976
1-10 1 p. 91-100
10 p.
artikel
769 Direct observation of torsional levels in Raman spectra of C2H6 Fantoni, R.
1986
1-10 1 p. 1-16
16 p.
artikel
770 Discrete and continuum photoabsorption oscillator strengths for the electronic spectrum of nitrous oxide (5.5–203 eV) Chan, W.F.
1994
1-10 1 p. 77-88
12 p.
artikel
771 Discrete time-reversible propagation scheme for mixed quantum-classical dynamics Schmitt, Udo
1996
1-10 1 p. 45-56
12 p.
artikel
772 D-isotope-labelled n-butane cations in CF3CCl3 and in CF2ClCFCl2: Structure and reactions at low temperature Lindgren, M.
1985
1-10 1 p. 103-110
8 p.
artikel
773 Dispersed fluorescence spectra of chlorobenzene Imhof, Petra
2001
1-10 1 p. 227-236
10 p.
artikel
774 Dispersion and resonance terms in exciton—phonon coupling: absorption band profiles in molecular crystals Craig, D.P.
1976
1-10 1 p. 89-110
22 p.
artikel
775 Dispersion of electron–hole excitations in pentacene along (100) Knupfer, M.
2006
1-10 1 p. 92-98
7 p.
artikel
776 Dispersive first-order reactions. I. Data analysis Schäfer, H.
1994
1-10 1 p. 53-59
7 p.
artikel
777 Dispersive first-order reactions. II. Photochromic model system Albrecht, U.
1994
1-10 1 p. 61-68
8 p.
artikel
778 Dispersive singlet exciton motion in an organic glass Jankowiak, R.
1983
1-10 1 p. 57-67
11 p.
artikel
779 Displacement coordinates in molecular dynamics Neto, N.
1984
1-10 1 p. 43-53
11 p.
artikel
780 Dissipation and fluctuation for a randomly kicked particle: Normal and anomalous diffusion Barkai, E.
1996
1-10 1 p. 69-88
20 p.
artikel
781 Dissociation and autoionization of the lowest doubly excited state in H2 Verschuur, J.W.J.
1989
1-10 1 p. 1-10
10 p.
artikel
782 Dissociation and electron–ion angular distributions in inner-valence photoionisation of CO and N2 Eland, J.H.D
1998
1-10 1 p. 13-19
7 p.
artikel
783 Dissociation dynamics of CF3C(O)X compounds (where X = H, F and Cl) Francisco, J.S.
1992
1-10 1 p. 27-36
10 p.
artikel
784 Dissociation of highly excited triplet benzophenone into phenyl radicals and carbon monoxide: determination of the reaction quantum yield and the heat of reaction by time-resolved thermal lensing technique Takatori, Yoshiki
1994
1-10 1 p. 99-107
9 p.
artikel
785 Dissociation of hydrogen molecules in collisions with light alkali ions. Kendall, Gerry M.
1975
1-10 1 p. 87-94
8 p.
artikel
786 Dissociation of hydrogen molecules in collisions with light alkali ions. II. Li+-H2 Schöttler, J.
1974
1-10 1 p. 24-35
12 p.
artikel
787 Dissociation of remote bonds by overtone excitation: A model study of heavy-atom blocking Uzer, T.
1989
1-10 1 p. 163-170
8 p.
artikel
788 Dissociation of water by controlled electron impact: rotational and translational energies of OH(X 2Π i ) fragment Kawazumi, Hirofumi
1987
1-10 1 p. 149-155
7 p.
artikel
789 Dissociation–recombination models in hypersonic boundary layer flows Armenise, I.
2007
1-10 1 p. 83-90
8 p.
artikel
790 Dissociative chemisorption of N2 on rhenium: Dynamics at low impact energies Billing, Gert D.
1990
1-10 1 p. 1-11
11 p.
artikel
791 Dissociative double photoionisation of CO below the CO++ threshold Hikosaka, Y.
2004
1-10 1 p. 147-154
8 p.
artikel
792 Dissociative excitation of some aliphatic hydrocarbons by electron impact Beenakker, C.I.M.
1975
1-10 1 p. 130-136
7 p.
artikel
793 Dissociative ionization accompanying emission by electron impact on N2O using fragment ion–photon coincidence (FIPCO) measurements Matsuo, Akihiro
1999
1-10 1 p. 91-101
11 p.
artikel
794 Dissociative photoionisation of hexafluorobenzene Kinugawa, T
2003
1-10 1 p. 139-147
artikel
795 Dissociative photoionization of SiH4 in the 12–19 eV region Hayaishi, T.
1987
1-10 1 p. 151-157
7 p.
artikel
796 Distance dependence of heterogeneous electron transfer through the nonadiabatic and adiabatic regimes Feldberg, Stephen W.
2006
1-10 1 p. 216-225
10 p.
artikel
797 Distance dependence of the effective coupling parameters through conjugated ligands of the polyene type Joachim, C.
1990
1-10 1 p. 131-141
11 p.
artikel
798 Distorted wave calculations of the vibrational relaxation of CO in collision with He atoms Wickham-Jones, C.T.
1987
1-10 1 p. 1-8
8 p.
artikel
799 Distribution of porous colloidal particles in an energy field Hsu, Jyh-Ping
1999
1-10 1 p. 69-79
11 p.
artikel
800 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 1 p. 47-58
12 p.
artikel
801 Does really Born–Oppenheimer approximation break down in charge transfer processes? An exactly solvable model Kuznetsov, Alexander M.
2006
1-10 1 p. 148-159
12 p.
artikel
802 Donor-acceptor interaction in two-level-reduced molecular systems Coutinho-Neto, Maurício D.
1996
1-10 1 p. 43-52
10 p.
artikel
803 Donor—acceptor vibrations in nonadiabatic electron transfer reactions Matyushov, D.V.
1992
1-10 1 p. 31-46
16 p.
artikel
804 Doping-induced realignment of molecular levels at organic–organic heterojunctions Kahn, Antoine
2006
1-10 1 p. 129-137
9 p.
artikel
805 Doppler profile measurements of balmer-α radiation by electron impact on H2 Ito, Kenji
1976
1-10 1 p. 35-43
9 p.
artikel
806 Double exchange in distorted trimeric mixed-valence clusters Belinsky, Moisey I.
1997
1-10 1 p. 7-22
16 p.
artikel
807 Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties Coropceanu, V.P.
1997
1-10 1 p. 1-19
19 p.
artikel
808 Double ionisation of ICN and BrCN studied by a new photoelectron–photoion coincidence technique Eland, John H.D.
2006
1-10 1 p. 85-90
6 p.
artikel
809 Double ionization of the propyne molecule to ground and electronically excited states of the doubly charged ion Andrews, S.R.
1995
1-10 1 p. 215-222
8 p.
artikel
810 Double photoionisation spectra of small molecules and a new empirical rule for double ionisation energies Molloy, Ryan D.
2007
1-10 1 p. 49-54
6 p.
artikel
811 Double resonance spectroscopy of different conformers of the neurotransmitter amphetamine and its clusters with water Brause, R.
2006
1-10 1 p. 43-53
11 p.
artikel
812 Λ-doublet populations in CH(A2Δ) produced in the 193 nm multiphoton dissociation of (CH3)2CO, (CD3)2CO, (CH3)2S and CH3NO2 Nagata, Takashi
1984
1-10 1 p. 163-170
8 p.
artikel
813 Doubly ionized states of carbon tetrafluoride Griffiths, W.J.
1993
1-10 1 p. 109-121
13 p.
artikel
814 Drift velocity of ions in lighter gases in electric and magnetic fields Ferrari, Leonardo
1997
1-10 1 p. 37-50
14 p.
artikel
815 Driven-echo and rotary-echo measurements of the spin coherence in triplet-state benzophenone Gillies, R.
1983
1-10 1 p. 49-55
7 p.
artikel
816 Dual emission and double proton transfer in salicylic acid Pant, D.D.
1994
1-10 1 p. 137-144
8 p.
artikel
817 Dual fluorescence lifetimes of pyrimidine: Intermediate radiationless decay Spears, Kenneth G.
1977
1-10 1 p. 65-80
16 p.
artikel
818 Dual-level direct dynamics studies for the hydrogen abstraction reaction of 1,1-difluoroethane with O(3P) Liu, Jing-yao
2004
1-10 1 p. 43-51
9 p.
artikel
819 Dual phosphorescence of 8-azasteroid in ethanol solid solution Bagnich, S.A.
2001
1-10 1 p. 29-35
7 p.
artikel
820 DWBA calculations of relaxation and kinetic cross sections. III. Application to the HD-He system Liu, Wing-Ki
1979
1-10 1 p. 75-92
18 p.
artikel
821 Dynamical model for the “translational excitation features” in the atom—diatom reaction cross section González Ureña, A.
1979
1-10 1 p. 81-91
11 p.
artikel
822 Dynamical simulations for dissipative multi-state systems: discretized integral equation approach Winterstetter, Manfred
1996
1-10 1 p. 1-11
11 p.
artikel
823 Dynamical solvent effects in liquid phase chemical reactions. Reactions in solvents with several polarization relaxation times Zusman, L.D.
1990
1-10 1 p. 1-6
6 p.
artikel
824 Dynamic charge distribution of pyrazine: Hartree—Fock—Slater calculation and comparison with X-ray diffraction results De With, G.
1978
1-10 1 p. 11-15
5 p.
artikel
825 Dynamic effects in non-adiabatic charge transfer Gudowska-Nowak, Ewa
1996
1-10 1 p. 115-123
9 p.
artikel
826 Dynamic light scattering and mutual diffusion in non-ideal systems. One- and multi-component spherical solutes Schurr, J.Michael
1987
1-10 1 p. 55-86
32 p.
artikel
827 Dynamic light-scattering studies of longitudinal and shear waves in a molecular liquid Gomperts, Stephen N.
1993
1-10 1 p. 117-129
13 p.
artikel
828 Dynamic multipole polarizabilities of H2 and He and long-range interaction coefficients for H2-H2,H2He and He-He Meyer, Wilfried
1976
1-10 1 p. 27-33
7 p.
artikel
829 Dynamics and selective bond breaking in photodissociation Imre, Dan G.
1989
1-10 1 p. 89-121
33 p.
artikel
830 Dynamics of a prototype alkali-hydrogen-halide exchange reaction on an ab initio potential-energy surface Noorbatcha, I.
1983
1-10 1 p. 67-91
25 p.
artikel
831 Dynamics of gaseous I2 on an iron surface: a study of adsorption and exchange processes at room tempeature Ron, Shlomo
1987
1-10 1 p. 39-50
12 p.
artikel
832 Dynamics of ion atmosphere relaxation around a newly created dipolar solute Chandra, Amalendu
1996
1-10 1 p. 1-7
7 p.
artikel
833 Dynamics of S1 acetone studied with single rotorvibronic level resolution Bitto, H.

1-10 1 p. 105-118
artikel
834 Dynamics of SO(A3Π) formation in an argon + SO2 afterglow Wu, Konrad T.
1984
1-10 1 p. 109-115
7 p.
artikel
835 Dynamics of the collision induced rotational excitation of diatomic molecules in a Π(-state: Classical trajectory studies for the Li2(B1 Πu) - Noble gas system Poppe, Dirk
1977
1-10 1 p. 29-45
17 p.
artikel
836 Editorial 1998
1-10 1 p. v-
1 p.
artikel
837 Editorial board 2003
1-10 1 p. IFC-
1 p.
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838 Editorial Board 2003
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1 p.
artikel
839 Editorial board 2004
1-10 1 p. IFC-
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artikel
840 Editorial board 2004
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artikel
841 Editorial board 2004
1-10 1 p. IFC-
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artikel
842 Editorial Board 1995
1-10 1 p. ii-
1 p.
artikel
843 Editorial Board 1994
1-10 1 p. ii-
1 p.
artikel
844 Editorial Board 1995
1-10 1 p. ii-
1 p.
artikel
845 Editorial Board 1995
1-10 1 p. ii-
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846 Editorial Board 1995
1-10 1 p. IFC-
1 p.
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847 Editorial Board 1997
1-10 1 p. ii-
1 p.
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848 Editorial Board 1996
1-10 1 p. ii-
1 p.
artikel
849 Editorial Board 1997
1-10 1 p. ii-
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850 Editorial Board 1997
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851 Editorial Board 1996
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852 Editorial Board 1996
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853 Editorial Board 1996
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854 Editorial Board 1996
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855 Editorial Board 1996
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856 Editorial Board 1996
1-10 1 p. ii-
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857 Editorial Board 1995
1-10 1 p. ii-
1 p.
artikel
858 Editorial board 2005
1-10 1 p. IFC-
1 p.
artikel
859 Editorial board 2004
1-10 1 p. IFC-
1 p.
artikel
860 Editorial Board 1983
1-10 1 p. CO2-
1 p.
artikel
861 Editorial Board 1997
1-10 1 p. ii-
1 p.
artikel
862 Editorial Board 1997
1-10 1 p. ii-
1 p.
artikel
863 Editorial Board 1997
1-10 1 p. ii-
1 p.
artikel
864 Editorial Board 1997
1-10 1 p. ii-
1 p.
artikel
865 Editorial Board 1985
1-10 1 p. ii-iii
nvt p.
artikel
866 Editorial Board 2003
1-10 1 p. IFC
artikel
867 (e, 2e) spectroscopy of H2O — separation energy spectra and valence orbital electron momentum distributions Dixon, A.J.
1977
1-10 1 p. 81-87
7 p.
artikel
868 Effective hamiltonian theory: an intermediate representation method for the wave operator calculation Jolicard, Georges
1987
1-10 1 p. 57-68
12 p.
artikel
869 Effect of a strong magnetic field on SS transitions of organic molecules in amorphous matrices via hole burning Ulitsky, N.I.
1988
1-10 1 p. 1-8
8 p.
artikel
870 Effect of changing reagent energy on reaction dynamics Douglas, D.J.
1976
1-10 1 p. 15-31
17 p.
artikel
871 Effect of changing reagent energy on reaction dynamics. VII. Dependence of product energy distribution on reagent rotational excitation in F + H2(J)→ HF + H Douglas, D.J.
1976
1-10 1 p. 1-8
8 p.
artikel
872 Effect of changing reagent energy on reaction dynamics. VIII. Highly vibrationally-excited product from the thermoneutral reaction Cl + OH(ν ⩽ 9) → HCl(ν′ ⩽ 11) + O Blackwell, B.A.
1977
1-10 1 p. 25-35
11 p.
artikel
873 Effect of disorder on the frequency and linewidth of a zone-center Frenkel exciton Huber, D.L.
1988
1-10 1 p. 1-7
7 p.
artikel
874 Effect of hydrostatic pressure on excitons in α-perylene crystals Matsui, Atsuo
1987
1-10 1 p. 121-128
8 p.
artikel
875 Effect of non-central interactions on energy and lattice dynamics of molecular crystals Remizov, I.A.
1985
1-10 1 p. 163-168
6 p.
artikel
876 Effect of ro-vibrational excitation of HCl on the stereodynamics for the reaction of O(3P)+HCl→OH+Cl Ge, Mei Hua
2012
1-10 1 p. 185-191
7 p.
artikel
877 Effect of solvent polarity and viscosity on the decay dynamics of an intramolecular charge-transfer complex: 4-Dicyanomethylene-1,2,3,4-tetrahydromethylquinoline Safarzadeh-Amiri, Ali
1988
1-10 1 p. 145-154
10 p.
artikel
878 Effect of stereoisomerism on the radiative and reactive relaxation channels of two thio-analogues of distyrylbenzene Ginocchietti, G.
2006
1-10 1 p. 164-172
9 p.
artikel
879 Effect of the aqueous–organic solvent structure on the cobalticenium–cobaltocene redox potential: The redox couple as a basis for determination of the single ion transfer energies Khanova, Larisa A.
2006
1-10 1 p. 33-42
10 p.
artikel
880 Effect of tunneling systems on impurity homogeneous optical bands in amorphous solids Donskoi, D.V.
1993
1-10 1 p. 135-153
19 p.
artikel
881 Effects due to proximity-induced electric dipole moments on Br + H2 collisions in an intense laser field Zimmerman, I.Harold
1980
1-10 1 p. 59-64
6 p.
artikel
882 Effects of a quantum heat bath on the dynamics of a nonlinear subsystem: reduced density matrix approach Szőcs, V.
1995
1-10 1 p. 1-18
18 p.
artikel
883 Effects of bath-induced vibrational transitions on time-resolved resonant light scattering from molecules in condensed phases Ohtsuki, Y.
1989
1-10 1 p. 103-109
7 p.
artikel
884 Effects of coherence transfer between vibrational transitions on ultrashort time-resolved coherent anti-Stokes Raman scattering from multi-mode molecules in liquids Hayashi, M.
1990
1-10 1 p. 41-50
10 p.
artikel
885 Effects of diffusion on geminate charge recombination Yoshimori, Akira
1995
1-10 1 p. 35-46
12 p.
artikel
886 Effects of electric and magnetic fields on fluorescence in electron donor and acceptor pairs of pyrene and N-methylphthalimide doped in a polymer film Yoshizawa, Tomokazu
2006
1-10 1 p. 26-39
14 p.
artikel
887 Effects of “excessive” exciton interactions in polarized IR spectra of the hydrogen bond in 2-butynoic acid crystals: Proton transfer induced by dynamical co-operative interactions involving hydrogen bonds Flakus, Henryk T.
2008
1-10 1 p. 49-64
16 p.
artikel
888 Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex Lehtovuori, Viivi
2003
1-10 1 p. 81-88
8 p.
artikel
889 Effects of L tot-conservation and quantization of vibrational energy in statistical simulations of the reaction Cs∗ (72P 1 2 , 3 2 ) + H2 → CsH + H Wallin, Elisabeth
1994
1-10 1 p. 65-72
8 p.
artikel
890 Effects of medium modes on electron transfer in a biological system Buhks, E.
1981
1-10 1 p. 41-48
8 p.
artikel
891 Effects of relativity in the He(I) photoelectron spectroscopy of the transient species TeCI2 and TeBr2 Jonkers, G.
1980
1-10 1 p. 11-20
10 p.
artikel
892 Effects of static quenching and light pulse intensity on the time-dependent fluorescence quenching kinetics Sung, Jaeyoung
1994
1-10 1 p. 23-37
15 p.
artikel
893 Effects of strong electron correlations in Ti8C12 Met-Car Varganov, Sergey A.
2006
1-10 1 p. 97-106
10 p.
artikel
894 Effects of surfactants on the aggregation behaviour of thiacarbocyanine dyes Chibisov, Alexander K.
1999
1-10 1 p. 47-60
14 p.
artikel
895 Efficient π electrons delocalization in prospective push–pull non-linear optical chromophore 4-[N,N-dimethylamino]-4′-nitro stilbene (DANS): A vibrational spectroscopic study Vijayakumar, T.
2008
1-10 1 p. 83-99
17 p.
artikel
896 Eigenvalue problems of classical Liouville operators Eu, Byung Chan
1977
1-10 1 p. 93-106
14 p.
artikel
897 Eigenvalue spectrum of the survival probability of excitation in nonradiative energy transport Bodunov, E.N.
2000
1-10 1 p. 49-61
13 p.
artikel
898 Elastic and rotationally inelastic scattering of fluorine atoms by deuterium molecules at 112 meV collision energy Ayabakan, M.
1998
1-10 1 p. 21-35
15 p.
artikel
899 Elastic Scattering of fast Electrons by Highly Polar Molecules Chesnyi, A.S.
1977
1-10 1 p. 155-162
8 p.
artikel
900 Electric dipole moments of the MgO B1Σ+ and X1Σ+ states Büsener, H.
1987
1-10 1 p. 139-146
8 p.
artikel
901 Electric field effects on chemisorption and vibrational relaxation of CO on Cu(100) Head-Gordon, Martin
1993
1-10 1 p. 37-51
15 p.
artikel
902 Electric field-induced photoluminescence quenching in molecularly doped polymer light-emitting diodes Deussen, M.
1996
1-10 1 p. 147-157
11 p.
artikel
903 Electric (hyper)polarizability derivatives for the symmetric stretching of carbon dioxide Maroulis, George
2003
1-10 1 p. 81-95
15 p.
artikel
904 Electric properties of ionic diatoms: BeO Diercksen, Geerd H.F.
1991
1-10 1 p. 19-32
14 p.
artikel
905 Electroabsorption spectroscopy of distyrylbenzene derivatives Lane, P.A
2000
1-10 1 p. 41-49
9 p.
artikel
906 Electron affinities of higher molybdenum fluorides as determined by the effusion technique Sidorov, L.N.
1982
1-10 1 p. 145-156
12 p.
artikel
907 Electron correlation effects on the d-d excitations in NiO de Grad, C.
1996
1-10 1 p. 35-43
9 p.
artikel
908 Electron correlations in molecules. I Bond orbital approximation Borrmann, Werner
1986
1-10 1 p. 11-26
16 p.
artikel
909 Electron correlations in molecules. II. General trends derived for isoelectronic series Oleś, Andrzej M.
1986
1-10 1 p. 27-38
12 p.
artikel
910 Electron degradation and thermalization in SiH4 gas Kowari, Ken-ichi
1994
1-10 1 p. 1-11
11 p.
artikel
911 Electron delocalization and transfer induced by a time-dependent potential: exact treatment of a simple model - transfer Filali-Mouhim, A.
1993
1-10 1 p. 23-31
9 p.
artikel
912 Electron density characterisation of intermolecular interactions in the formaldehyde dimer and trimer Vila, Antonio
2002
1-10 1 p. 11-22
12 p.
artikel
913 Electron-density maps of bent bonds in non-cyclic molecules Eisenstein, M.
1979
1-10 1 p. 1-10
10 p.
artikel
914 Electron dynamics within Ru-2,2′-bipyridine complexes—an N1s core level excitation study Westermark, K
2002
1-10 1 p. 167-176
10 p.
artikel
915 Electronegativity and hardness in the chemical approximation Komorowski, Ludwik
1987
1-10 1 p. 55-71
17 p.
artikel
916 Electronegativity based on the simple bond charge model Pasternak, A.
1977
1-10 1 p. 101-112
12 p.
artikel
917 Electron energy distribution functions under N2 discharge and post-discharge conditions: A self-consistent approach Gorse, C.
1988
1-10 1 p. 63-70
8 p.
artikel
918 Electron energy-loss studies of nitric oxide Stubbs, Richard J.
1986
1-10 1 p. 161-170
10 p.
artikel
919 Electron energy-loss studies of trans-1,3-butadiene Reddish, Tim
1986
1-10 1 p. 159-165
7 p.
artikel
920 Electron exchange effect on CIDNP formation in electron transfer reactions Kruppa, A.I.
1982
1-10 1 p. 27-33
7 p.
artikel
921 Electron-gas interaction potentials for collisions of CaCl(X 2Σ+) and KCl(X 1Σ+) with Ar Davis, Stephen L.
1984
1-10 1 p. 81-88
8 p.
artikel
922 Electronic absorption bandwidths of negative ions of aromatic hydrocarbons Watanabe, Tsutomu
1976
1-10 1 p. 65-72
8 p.
artikel
923 Electronic and cationic states of 2-methylpropene (isobutene) studied by VUV absorption, scattered electron spectroscopy and AB initio multireference configuration interaction calculations Palmer, Michael H.
1987
1-10 1 p. 51-63
13 p.
artikel
924 Electronic and optical properties of functionalized carbon chains with the localized Hartree–Fock and conventional Kohn–Sham methods Weimer, Martin
2005
1-10 1 p. 77-87
11 p.
artikel
925 Electronic and Raman-type nonlinearities of thin films of oligomeric paraphenylene vinylenes Werncke, W.
1995
1-10 1 p. 65-72
8 p.
artikel
926 Electronic and vibrational spectroscopy of jet-cooled m-cyanophenol and its dimer: laser-induced fluorescence and fluorescence-dip IR spectra in the S0 and S1 states Seurre, N
2003
1-10 1 p. 21-33
13 p.
artikel
927 Electronic and vibronic coupling in a mixed-valence dimeric unit d1—d2, magnetic aspects Drillon, M.
1984
1-10 1 p. 27-37
11 p.
artikel
928 Electronic dephasing studies of molecules in solution at room temperature by femtosecond degenerate four wave mixing Joo, Taiha
1993
1-10 1 p. 233-247
15 p.
artikel
929 Electronic energy relaxation of benzophenone vapor Hikosaka, Y.
1996
1-10 1 p. 137-142
6 p.
artikel
930 Electronic energy transfer between fluorescent dyes with inter- and intramicellar interactions de Oliveira, Hueder P.M
2003
1-10 1 p. 85-91
7 p.
artikel
931 Electronic energy trapping in a crystal due, to a dopant of higher excitation energy than the host Berkovic, G.E.
1981
1-10 1 p. 57-64
8 p.
artikel
932 Electronic excitation transport and trapping in micellar systems: Monte Carlo simulations and density expansion approximation Barzykin, A.V.
1992
1-10 1 p. 1-12
12 p.
artikel
933 Electronic excitation transport, diffusion and trapping Pandey, K.K.
1992
1-10 1 p. 123-134
12 p.
artikel
934 Electronic excitation transport in a substitutionally disordered medium Rips, Ilya
1988
1-10 1 p. 237-256
20 p.
artikel
935 Electronic excited states of protonated aromatic molecules: Protonated Fluorene Alata, Ivan
2012
1-10 1 p. 25-31
7 p.
artikel
936 Electronic mechanism in cadmium chemical shift Nakatsuji, H.
1987
1-10 1 p. 25-32
8 p.
artikel
937 Electronic processes in organic solids Petelenz, Piotr
2006
1-10 1 p. 1-2
2 p.
artikel
938 Electronic properties of the triplet state of fluorene, carbazole, dibenzofuran and dibenzothiophene(X-traps) Goldacker, W.
1979
1-10 1 p. 15-26
12 p.
artikel
939 Electronic quenching of Bi2 A ( 0 u + ) v′=18–23 by rare gases and nitrogen Cox, Joeseph L.
2008
1-10 1 p. 31-34
4 p.
artikel
940 Electronic quenching of CH(A 2 Δ) and NH(A 3 Π) between 300 and 950 K Heinrich, P.
1995
1-10 1 p. 105-118
14 p.
artikel
941 Electronic reorganization mechanisms in strongly covalent bonds. I. A Mössbauer isomer shift investigation Winkler, W.
1990
1-10 1 p. 7-28
22 p.
artikel
942 Electronic reorganization mechanisms in strongly covalent bonds. II. Verified by nuclear quadrupole interactions and NMR spin-spin couplings Winkler, W.
1990
1-10 1 p. 29-45
17 p.
artikel
943 Electronic spectra and luminescence properties of 1,2-benzotetraphene in crystalline matrices at 77 K Palewska, K.
1981
1-10 1 p. 21-28
8 p.
artikel
944 Electronic spectra and triplet state properties of superphane Schweitzer, D.
1986
1-10 1 p. 93-101
9 p.
artikel
945 Electronic spectra of aperiodic protein model chains Seel, M.
1979
1-10 1 p. 103-109
7 p.
artikel
946 Electronic spectra of dimers of TMPD, CA and TCNQ Bieber, A.
1975
1-10 1 p. 137-142
6 p.
artikel
947 Electronic spectra of 4-nitro-pyridine-n-oxyde (NPO) single crystals Pierre, M.
1991
1-10 1 p. 103-111
9 p.
artikel
948 Electronic spectra of some pterins and deazapterins Wormell, Paul
1994
1-10 1 p. 55-69
15 p.
artikel
949 Electronic spectra of the naphthyridines: 2,7-naphthyridine Wormell, P.
1992
1-10 1 p. 55-72
18 p.
artikel
950 Electronic spectra of the naphthyridines: 1,8-naphthyridine Wormell, P.
1987
1-10 1 p. 71-89
19 p.
artikel
951 Electronic spin—orbit interaction and the molecular Aharonov—Bohm effect Alden Mead, C.
1980
1-10 1 p. 33-38
6 p.
artikel
952 Electronics structures of Rb, Cs and some of their metallic oxides studied by photoelectron spectroscopy Ebbinghaus, G.
1979
1-10 1 p. 117-133
17 p.
artikel
953 Electronic states of 1,4-bis(phenylethynyl)benzene: A synchrotron radiation linear dichroism investigation Nguyen, Duy Duc
2012
1-10 1 p. 130-135
6 p.
artikel
954 Electronic states of Cu(111)/C6H6. A dielectric continuum approach and a heterogeneous solvation model Jørgensen, Solvejg
2002
1-10 1 p. 53-68
16 p.
artikel
955 Electronic states of NS+. A configuration-interaction study Karna, S.P.
1986
1-10 1 p. 35-38
4 p.
artikel
956 Electronic states of PS+ obtained by configuration-interaction studies Karna, S.P.
1988
1-10 1 p. 85-89
5 p.
artikel
957 Electronic states of substituted haloacetylene and cyanoacetylene radical cations Bieri, Gerhard
1979
1-10 1 p. 1-14
14 p.
artikel
958 Electronic states of titanium monoxide. An ab initio study Sennesal, J.M.
1987
1-10 1 p. 37-42
6 p.
artikel
959 Electronic structure and ESCA shake-up of the UF6 molecule Larsson, Sven
1984
1-10 1 p. 43-50
8 p.
artikel
960 Electronic structure and local geometry of Na2[Fe(CN)5NO]·2H2O single crystals investigated by polarization-dependent X-ray absorption spectroscopy Gädeke, W.
1988
1-10 1 p. 113-119
7 p.
artikel
961 Electronic structure and spectroscopy of the ground and excited states of the HMgO and HMgS radicals Zaidi, A
2003
1-10 1 p. 89-95
7 p.
artikel
962 Electronic structure and thermal decomposition of 5-methyltetrazole studied by UV photoelectron spectroscopy and theoretical calculations Pinto, Rui M.
2012
1-10 1 p. 21-28
8 p.
artikel
963 Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study Wysokiński, Rafał
2007
1-10 1 p. 37-48
12 p.
artikel
964 Electronic structure of bis [1,2,5]thiadiazolo-p-quinobis (1,3-dithiole) (BTQBT) studied by ultraviolet photoemission spectroscopy Fujimoto, H.
1992
1-10 1 p. 135-142
8 p.
artikel
965 Electronic structure of Ge2 and Ge2 − and thermodynamic properties of Ge2 from all electron ab initio investigations and Knudsen effusion mass spectroscopic measurements Shim, Irene
2002
1-10 1 p. 9-20
12 p.
artikel
966 Electronic structure of lithium phthalocyanine studied by ultraviolet photoemission spectroscopy Kimura, Takafumi
2000
1-10 1 p. 125-131
7 p.
artikel
967 Electronic structure of platinum complex/Zn-porphyrinato assembled macrosystems, related precursors and model molecules, as probed by X-ray absorption spectroscopy (NEXAFS): theory and experiment Polzonetti, G.
2004
1-10 1 p. 87-100
14 p.
artikel
968 Electronic structure of potassium clusters (K9, K15, K27) by the SCF X α(LSD) SW method Pellegatti, A.
1983
1-10 1 p. 83-89
7 p.
artikel
969 Electronic structure of tert-butyl halides and group 14 derivatives: Electron affinities and dissociative electron attachment Modelli, Alberto
1990
1-10 1 p. 89-99
11 p.
artikel
970 Electronic structure of the linear form of OCuO Mochizuki, Yuji
1991
1-10 1 p. 11-20
10 p.
artikel
971 Electronic structure of the radicals NF and NCI. II. Potential energy curves for NCI Bettendorff, Marc
1986
1-10 1 p. 29-39
11 p.
artikel
972 Electronic structure of the radicals NF and NCI. I. Potential energy curves for NF Bettendorff, Marc
1985
1-10 1 p. 55-72
18 p.
artikel
973 Electronic structures of fulvalene and octachlorofulvalene Streets, D.G.
1977
1-10 1 p. 79-85
7 p.
artikel
974 Electronic-to-vibrational energy transfer from Br (42P 1 2 to HF Wodarczyk, Francis J.
1976
1-10 1 p. 65-70
6 p.
artikel
975 Electronic to vibrational energy transfer in Hg-CO solid at 15 K. Analysis of the infrared emission Legay, F.
1984
1-10 1 p. 151-166
16 p.
artikel
976 Electronic-vibrational excitations of a hydrogen-bonded molecule in supersonic expansions: 1,4-dihydroxyanthraquinone and its deuterated derivatives Smulevich, G.
1983
1-10 1 p. 147-
1 p.
artikel
977 Electron-impact dissociation of HNCO: Formation of NH(A3Π, c1Π) and NCO(A2Σ+, B2Π) Tokue, Ikuo
1984
1-10 1 p. 51-57
7 p.
artikel
978 Electron impact dissociative ionization and the subsequent ion-molecule reactions in a methane beam Tian, Cechan
1997
1-10 1 p. 105-112
8 p.
artikel
979 Electron-impact-induced light emission from CXCl3 (X=H, F, Cl, Br) Tokue, Ikuo
1990
1-10 1 p. 157-165
9 p.
artikel
980 Electron injection kinetics for the nanocrystalline TiO2 films sensitised with the dye (Bu4N)2Ru(dcbpyH)2(NCS)2 Tachibana, Yasuhiro
2002
1-10 1 p. 127-132
6 p.
artikel
981 Electron-mediated vibration–electronic (V–E) energy transfer in optically pumped plasmas Plönjes, Elke
2002
1-10 1 p. 43-54
12 p.
artikel
982 Electron momentum spectroscopy of the valence orbitals of H2O and D2O: Quantitative comparisons using Hartree—Fock limit and correlated wavefunctions Bawagan, A.O.
1987
1-10 1 p. 19-42
24 p.
artikel
983 Electron paramagnetic resonance of Ni(II) doped tris(ethylenediamine)zinc(II) dinitrate Wilson, Clint R.
1997
1-10 1 p. 63-70
8 p.
artikel
984 Electron spectroscopy of hydrogen fluoride resonances Mathur, D.
1978
1-10 1 p. 29-38
10 p.
artikel
985 Electron spin echo decay kinetics of an ion track in β-irradiated frozen solution of sulfuric acid. numerical simulation by the Monte Carlo method and experiment Raitsimring, A.M.
1983
1-10 1 p. 123-130
8 p.
artikel
986 Electron spin exchange in micellized radical pairs. III. 13C low-field ratio frequency stimulated nuclear polarization spectroscopy (LF SNP) Bagryanskaya, E.G.
1992
1-10 1 p. 213-223
11 p.
artikel
987 Electron spin relaxation of photobiochemically generated radical pairs diffusing in micellar supercages Steiner, U.E.
1992
1-10 1 p. 53-67
15 p.
artikel
988 Electron transfer across α-helical peptides: Potential influence of molecular dynamics Mandal, Himadri S.
2006
1-10 1 p. 246-251
6 p.
artikel
989 Electron transfer and bond breaking: Recent advances Costentin, Cyrille
2006
1-10 1 p. 40-56
17 p.
artikel
990 Electron transfer between cofactors in protein domains linked by a flexible tether Kawatsu, Tsutomu
2006
1-10 1 p. 259-269
11 p.
artikel
991 Electron transfer due to through-bond interactions. Study of aliphatic chains Broo, Anders
1990
1-10 1 p. 103-115
13 p.
artikel
992 Electron transfer in media with local fluctuations Karasevskii, A.I.
1990
1-10 1 p. 1-15
15 p.
artikel
993 Electron transfer in mixed-valence tetranuclear iron clusters. Orbital effects and magnetic properties Borrás-Almenar, J.J.
1993
1-10 1 p. 15-22
8 p.
artikel
994 Electron transfer in the nonadiabatic regime: Crossover from quantum-mechanical to classical behaviour Lang, Gunther
1999
1-10 1 p. 111-125
15 p.
artikel
995 Electron transfer reactions induced by the triplet state of thiacarbocyanine dimers Chibisov, Alexander K.
2004
1-10 1 p. 1-10
10 p.
artikel
996 Electron transfer reactions in micellar systems: Separation of the true (unimolecular) electron transfer rate constant in its components Prado-Gotor, R.
2001
1-10 1 p. 139-148
10 p.
artikel
997 Electron transfer reactions on passive iron electrodes Meisterjahn, P.
1990
1-10 1 p. 131-141
11 p.
artikel
998 Electron transfer through 2,7,9,10-tetraazaphenanthrene: a quantum “interference” effect? Marvaud, Valérie
1993
1-10 1 p. 23-30
8 p.
artikel
999 Electron transfer with TD-Split, a linear response time-dependent method Bartell, Lizette A.
2011
1-10 1 p. 62-68
7 p.
artikel
1000 Electron tunneling in solid phase redox reactions. Experimental values of parameters characterizing the rate of tunneling and theoretical models for long range electron transfer Alexandrov, I.V.
1978
1-10 1 p. 123-141
19 p.
artikel
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