nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab-initio and pseudo-potential calculations on some first, second and third row molecules. A comparative study
|
Wahlgren, Ulf |
|
1978 |
1-10 |
2 |
p. 215-221 7 p. |
artikel |
2 |
Ab initio and pseudopotential investigations on the SiH
n
(n = 1–3) radicals and their anions
|
Kalcher, Josef |
|
1987 |
1-10 |
2 |
p. 273-284 12 p. |
artikel |
3 |
Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OH
|
Papayannis, Demetrios K. |
|
2002 |
1-10 |
2 |
p. 305-314 10 p. |
artikel |
4 |
Ab initio calculation of the potential energy surface and cross sections for the reactions Ne+
2 + He → NeHe+ + Ne and Ne+
2 + Ne + He
|
Kuntz, P.J. |
|
1979 |
1-10 |
2 |
p. 197-204 8 p. |
artikel |
5 |
Ab initio calculation of the potential energy surface of the system Li+/CO
|
Staemmler, Volker |
|
1976 |
1-10 |
2 |
p. 187-196 10 p. |
artikel |
6 |
Ab initio calculation of the X2Σ+
u state of He+
2 and adjustment governed by translational spectroscopic measurements
|
Maas, J.G. |
|
1976 |
1-10 |
2 |
p. 217-225 9 p. |
artikel |
7 |
Ab initio calculations of oxygen nuclear quadrupole coupling constants and oxygen and silicon NMR shielding constants in molecules containing SiO bonds
|
Tossell, J.A. |
|
1987 |
1-10 |
2 |
p. 205-212 8 p. |
artikel |
8 |
Ab initio calculations of spin-orbit coupling in the SnH+
4 ion
|
Fernandez, Javier |
|
1987 |
1-10 |
2 |
p. 201-207 7 p. |
artikel |
9 |
Ab initio calculations on intermolecular forces. II. An analysis of potential energy curves for HE… HF, He… H2O, H2… HF and H2 … H2O at large and intermediate distances
|
Lishicka, Hans |
|
1973 |
1-10 |
2 |
p. 191-202 12 p. |
artikel |
10 |
Ab initio CI calculation of the generalized oscillator strength for four transitions of the CO molecule
|
Chantranupong, Lek |
|
1992 |
1-10 |
2 |
p. 183-190 8 p. |
artikel |
11 |
Ab initio CI calculations of electronic and vibrational spectra of ZnCH3
|
Jamorski, Christine |
|
1992 |
1-10 |
2 |
p. 191-196 6 p. |
artikel |
12 |
Ab initio CI study of the photodissociation of nitrosyl chloride (CINO)
|
Solgadi, D. |
|
1983 |
1-10 |
2 |
p. 225-233 9 p. |
artikel |
13 |
Ab initio computation of vibrational relaxation rate coefficients for the collisions of CO2 with helium and neon atoms
|
Clary, D.C. |
|
1982 |
1-10 |
2 |
p. 247-257 11 p. |
artikel |
14 |
Ab initio DFT study of the rotation barriers and competitive hydrogen bond energies (in gas phase and water solution) of 2-nitroresorcinol, 4,6-dinitroresorcinol and 2-nitrophenol in their neutral and deprotonated conformations
|
Buemi, Giuseppe |
|
2002 |
1-10 |
2 |
p. 181-195 15 p. |
artikel |
15 |
Ab initio MO calculations on the stable conformations and their binding energies of the ion-molecule complexes: Ion = H+, Li+, Na+, K+ Be2+, and molecule = CO and N2
|
Ikuta, Shigeru |
|
1985 |
1-10 |
2 |
p. 235-242 8 p. |
artikel |
16 |
AB initio MRD CI potential curves, dipole moments and zero-field splittings for the X2Π ground states of the CF and CCl molecules
|
Hess, Bernd A. |
|
1986 |
1-10 |
2 |
p. 211-218 8 p. |
artikel |
17 |
Ab initio MRD-CI study of the rydberg states of methylene
|
Römelt, Joachim |
|
1981 |
1-10 |
2 |
p. 147-158 12 p. |
artikel |
18 |
Ab initio potential energy surface of the lowest triplet BH+
2 collision complex
|
Klimo, Viliam |
|
1986 |
1-10 |
2 |
p. 207-211 5 p. |
artikel |
19 |
Ab initio SCF CL study of the electronic spectrum of nitroso-methane
|
Ha, Tae-Kyu |
|
1974 |
1-10 |
2 |
p. 300-306 7 p. |
artikel |
20 |
Ab initio SCF study on LiClO4 and Li
2
SO4 molecules: Geometries and vibrational frequencies
|
Ramondo, F. |
|
1991 |
1-10 |
2 |
p. 179-186 8 p. |
artikel |
21 |
Ab initio studies on hydrogen-bonded chains. III. The linear, infinite chain of hydrogen cyanide molecules
|
Karpfen, Alfred |
|
1983 |
1-10 |
2 |
p. 211-218 8 p. |
artikel |
22 |
Ab initio studies on hydrogen-bonded clusters. II. Structures and vibrational spectra of the hydrogen-bonded trimers (HCN)2HF, (HCN2)HCl, (NCH)2OH2 AND (NCH)2NH3
|
Rhee, Soon-Ki |
|
1988 |
1-10 |
2 |
p. 199-213 15 p. |
artikel |
23 |
Ab initio study of β-lactam antibiotics. II. Potential energy surface for the amidic CN bond breaking in the 3-cephem + OH− reaction and comparison with the β-lactam + OH− reaction
|
Petrongolo, Carlo |
|
1980 |
1-10 |
2 |
p. 291-304 14 p. |
artikel |
24 |
Ab initio study of β-lactam antibiotics. I. Potential energy surface for the amidic CN bond breaking in the β-lactam + OH− reaction
|
Petrongolo, Carlo |
|
1980 |
1-10 |
2 |
p. 279-290 12 p. |
artikel |
25 |
Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide
|
Hwang, Der-Yan |
|
2000 |
1-10 |
2 |
p. 169-176 8 p. |
artikel |
26 |
Ab initio study of the ammoniated ammonium ions NH4
+(NH3)0–6
|
Wang, Bo-Cheng |
|
2002 |
1-10 |
2 |
p. 93-106 14 p. |
artikel |
27 |
AB initio study of the HN2
+ molecule ion and its dissociation products in ground and excited states
|
Vasudevan, K. |
|
1974 |
1-10 |
2 |
p. 149-165 17 p. |
artikel |
28 |
Ab initio study of the internal rotation in peroxyformic acid
|
Petrongolo, Carlo |
|
1977 |
1-10 |
2 |
p. 243-249 7 p. |
artikel |
29 |
Ab initio study of the O4 molecule
|
Adamantides, V. |
|
1980 |
1-10 |
2 |
p. 215-220 |
artikel |
30 |
Ab initio study of the thermodynamic and kinetic stability of the ammonium radical
|
Cardy, H. |
|
1983 |
1-10 |
2 |
p. 287-299 13 p. |
artikel |
31 |
Ab initio study of the 2Πu electronic state of the AlH2 radical
|
Nestmann, Bernd |
|
1984 |
1-10 |
2 |
p. 257-264 8 p. |
artikel |
32 |
Absolute cross sections for the near-resonant electronic energy transfer reactions between metastable Xe atoms and N2 molecules
|
Böhle, W. |
|
1989 |
1-10 |
2 |
p. 313-321 9 p. |
artikel |
33 |
Absolute cross-sections for the nonresonant multi-photon ionization of toluene and xylene in the gas phase
|
Walther, C. |
|
2001 |
1-10 |
2 |
p. 243-250 8 p. |
artikel |
34 |
Absolute dipole oscillator strengths for molecular and dissociative photoionization of hydrogen fluoride
|
Carnovale, F. |
|
1983 |
1-10 |
2 |
p. 253-259 7 p. |
artikel |
35 |
Absolute dipole oscillator strengths for photoabsorption, photoionization and ionic photofragmentation processes in HBr
|
Brion, C.E. |
|
1985 |
1-10 |
2 |
p. 327-339 13 p. |
artikel |
36 |
Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of sulphur dioxide. II. The S 2p and 2s inner shells
|
Cooper, Glyn |
|
1991 |
1-10 |
2 |
p. 251-261 11 p. |
artikel |
37 |
Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of sulphur dioxide. I. The valence shell
|
Cooper, Glyn |
|
1991 |
1-10 |
2 |
p. 237-250 14 p. |
artikel |
38 |
Absolute partial photoionization cross sections of ethylene
|
Grimm, F.A. |
|
1991 |
1-10 |
2 |
p. 303-309 7 p. |
artikel |
39 |
Absorption and magnetic circular dichroism spectra of allene
|
Fuke, Kiyokazu |
|
1979 |
1-10 |
2 |
p. 211-216 6 p. |
artikel |
40 |
Absorption cross-section and density measurement of dye vapors
|
Schmidt, J. |
|
1987 |
1-10 |
2 |
p. 265-273 9 p. |
artikel |
41 |
Absorption, excitation and fluorescence spectra of lead activated ammonium chloride
|
Pathak, N.L. |
|
1975 |
1-10 |
2 |
p. 310-315 6 p. |
artikel |
42 |
Absorption spectra and energy levels of Sm3+:Y3Al5O12
|
Gruber, John B. |
|
1987 |
1-10 |
2 |
p. 175-186 12 p. |
artikel |
43 |
Absorption spectra of conjugated hydrocarbon cation chains in neon matrices
|
Freivogel, Patrick |
|
1994 |
1-10 |
2 |
p. 335-341 7 p. |
artikel |
44 |
Absorption spectra of disordered solid tetracene and pentacene
|
Hesse, R. |
|
1980 |
1-10 |
2 |
p. 201-211 11 p. |
artikel |
45 |
Absorption spectra of the mono-adduct and eight bis-adduct regioisomers of pyrrolidine derivatives of C60
|
Kordatos, Konstantinos |
|
2003 |
1-10 |
2 |
p. 263-280 18 p. |
artikel |
46 |
Accurate low density calculations of the transverse nuclear magnetic relaxation of H2
|
Sanctuary, B.C. |
|
1979 |
1-10 |
2 |
p. 201-207 7 p. |
artikel |
47 |
Accurate MR CI studies of the N2 ground state
|
Ahlrichs, Reinhart |
|
1987 |
1-10 |
2 |
p. 265-269 5 p. |
artikel |
48 |
Acetone, a laser-induced fluorescence study with rotational resolution at 320 nm
|
Zuckermann, Hanna |
|
1992 |
1-10 |
2 |
p. 193-208 16 p. |
artikel |
49 |
A CI procedure using SCF MOs as basis functions. Application to HNO and NCO+
|
Wu, Ay-ju A. |
|
1977 |
1-10 |
2 |
p. 173-186 14 p. |
artikel |
50 |
A classical mechanical study of the LiFH system
|
Zeiri, Y. |
|
1981 |
1-10 |
2 |
p. 239-247 9 p. |
artikel |
51 |
A close-coupling theory of associative detachment of electrons from negative ions
|
Haywood, S.E. |
|
|
1-10 |
2 |
p. 253-266 |
artikel |
52 |
A cluster model of the charge transfer interaction between an impurity and the host molecular crystal
|
Petelenz, Piotr |
|
1991 |
1-10 |
2 |
p. 247-255 9 p. |
artikel |
53 |
A comparative picosecond spectroscopic study of the competitive triple fluorescence of aminosalicylates and benzanilides
|
Heldt, Jozef |
|
1989 |
1-10 |
2 |
p. 321-334 14 p. |
artikel |
54 |
A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine
|
Jalkanen, K.J |
|
2001 |
1-10 |
2 |
p. 125-151 27 p. |
artikel |
55 |
A comparison of different sudden approximations for molecular scattering
|
Buck, U. |
|
1977 |
1-10 |
2 |
p. 215-221 7 p. |
artikel |
56 |
A Comparison of radiationless transitions involving single-minimum and double minima potential energy surfaces
|
Wassam Jr., W.A. |
|
1979 |
1-10 |
2 |
p. 217-226 10 p. |
artikel |
57 |
A comparison of rate constants for vibrational relaxation in liquid argon and in the gas phase at the same temperature
|
Buckingham, Mark R. |
|
1985 |
1-10 |
2 |
p. 179-195 17 p. |
artikel |
58 |
A comparison of the theoretical and experimental electron density distribution in the cyanide and thiocyanate group
|
Bats, J.W. |
|
1977 |
1-10 |
2 |
p. 175-181 7 p. |
artikel |
59 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
|
Roos, Björn O. |
|
1980 |
1-10 |
2 |
p. 157-173 |
artikel |
60 |
A computational study on Cu
n
N0,±1 (n=1–4) clusters by density functional methods
|
Han, Ju-Guang |
|
2003 |
1-10 |
2 |
p. 211-220 10 p. |
artikel |
61 |
A contribution to non-equilibrium chemical kinetics. II. Strongly non-equilibrium “hot” reactions in liquids and solids
|
Temkin, A.Ya. |
|
1985 |
1-10 |
2 |
p. 223-237 15 p. |
artikel |
62 |
A crossed beam study of the ionization of molecules by metastable neon atoms
|
Aguilar, Antonio |
|
|
1-10 |
2 |
p. 211-218 |
artikel |
63 |
Addendum to superfine and hyperfine structures in the ν3 band of 32SF6: Evidence for a tensor spin-vibration interaction in spherical tops
|
Bordé, Jacques |
|
1984 |
1-10 |
2 |
p. 159-165 7 p. |
artikel |
64 |
A density functional approach of prototropic tautomerism of guanine
|
Tian, Shan Xi |
|
2001 |
1-10 |
2 |
p. 187-196 10 p. |
artikel |
65 |
A density functional theory calculation on lanthanide monosulfides
|
Luo, Yi |
|
2002 |
1-10 |
2 |
p. 197-206 10 p. |
artikel |
66 |
A detailed experimental study of the dissociative charge exchange of H2
+ with Ar, Mg, Na and Cs targets at keV energies
|
de Bruijn, D.P. |
|
1984 |
1-10 |
2 |
p. 215-231 17 p. |
artikel |
67 |
Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr
|
Krylov, A.I. |
|
1994 |
1-10 |
2 |
p. 261-272 12 p. |
artikel |
68 |
Adiabatic polarization energy in a simple dense fluid
|
Messing, Itzhak |
|
1977 |
1-10 |
2 |
p. 183-189 7 p. |
artikel |
69 |
Adiabatic versus non-adiabatic effects in the vibrational excitation in NO/Ag scattering
|
Gross, A. |
|
1993 |
1-10 |
2 |
p. 497-508 12 p. |
artikel |
70 |
A direct, restricted-step, second-order MC SCF program for large scale ab initio calculations
|
Jensen, Hans Jørgen Aa. |
|
1986 |
1-10 |
2 |
p. 229-250 22 p. |
artikel |
71 |
A dissociative electroionization study of nitrous oxide. The O+ and N+ dissociation channels
|
Olivier, J.L. |
|
1984 |
1-10 |
2 |
p. 295-309 15 p. |
artikel |
72 |
Adsorption and decomposition of hydrazine on Ru(001)
|
Rauscher, H. |
|
1993 |
1-10 |
2 |
p. 473-496 24 p. |
artikel |
73 |
Adsorption kinetics involving precursor states and promoters
|
Zhdanov, V.P. |
|
1993 |
1-10 |
2 |
p. 519-532 14 p. |
artikel |
74 |
A DVR analysis of some vibrational modes in the elongated dihydrogen complex [Ru(η2-H2)(C5H5)(H2PCH2PH2)]+
|
Gelabert, Ricard |
|
1999 |
1-10 |
2 |
p. 155-166 12 p. |
artikel |
75 |
A fluorescence characterization of the p-difluorobenzene-argon van der Waals complex. Energy levels, geometries and dissociation energies
|
Su, Meng-Chih |
|
1991 |
1-10 |
2 |
p. 261-280 20 p. |
artikel |
76 |
A fluorescence depolarization study of the order and dynamics of 1,8-diphenyloctatetraene in a nematic liquid crystal
|
Arcioni, A. |
|
1990 |
1-10 |
2 |
p. 259-270 12 p. |
artikel |
77 |
A fluorescence polarisation study of the CS2
+
A
̃
2
Π
u
→
X
̃
2
Π
g
and the
B
̃
2
Σ
u
+→
X
̃
2
Π
g
transitions
|
Shaw, D.A |
|
2003 |
1-10 |
2 |
p. 239-251 13 p. |
artikel |
78 |
A free-electron theory of optical activity
|
Balazs, N.L. |
|
1976 |
1-10 |
2 |
p. 141-151 11 p. |
artikel |
79 |
A generalized Langevin equation approach to molecular collision dynamics
|
Schatz, George C. |
|
1978 |
1-10 |
2 |
p. 295-307 13 p. |
artikel |
80 |
A generalized log-derivative method for the treatment of asymmetric collinear reactions in hyperspherical coordinates
|
Mrugala, F. |
|
1987 |
1-10 |
2 |
p. 295-312 18 p. |
artikel |
81 |
A high intensity metastable neon trap
|
Shimizu, Fujio |
|
|
1-10 |
2 |
p. 327-331 |
artikel |
82 |
A joint vibro-electronic mechanism in the dissociation of molecular hydrogen in nonequilibrium plasmas
|
Cacciatore, M. |
|
1978 |
1-10 |
2 |
p. 193-204 12 p. |
artikel |
83 |
Algebraic method for determining the potential energy surface for nonlinear triatomic molecules
|
Zheng, Yujun |
|
1999 |
1-10 |
2 |
p. 225-235 11 p. |
artikel |
84 |
A linear response approach to kinetics with time-dependent rate coefficients
|
Berberan-Santos, M.N. |
|
1992 |
1-10 |
2 |
p. 259-269 11 p. |
artikel |
85 |
A local density functional approximation for the ion distribution near a charged electrode in the restricted primitive model electrolyte
|
Alts, T. |
|
1987 |
1-10 |
2 |
p. 223-240 18 p. |
artikel |
86 |
A mass spectrometric photoionization study of CH3F. The CH+
2, CH+
3 and CH2F+ ion formation
|
Locht, R. |
|
1987 |
1-10 |
2 |
p. 305-313 9 p. |
artikel |
87 |
A master equation theory of excitonic annihilation phenomena for finite latices of low dimensionality
|
Webber, S.E. |
|
1980 |
1-10 |
2 |
p. 231-240 10 p. |
artikel |
88 |
A matrix-isolation study of the water-d
1 iodine atom complex and the equilibrium between its hydrogen-bonded and deuterium-bonded forms
|
Engdahl, Anders |
|
1985 |
1-10 |
2 |
p. 273-280 8 p. |
artikel |
89 |
A matrix isolation study of the water-formaldehyde complex. The far-infrared region
|
Nelander, Bengt |
|
1992 |
1-10 |
2 |
p. 281-287 7 p. |
artikel |
90 |
A metastable state of CO in Ar matrix at about 11 eV
|
Bahrdt, J. |
|
1990 |
1-10 |
2 |
p. 273-278 6 p. |
artikel |
91 |
A model for prestabilized electron relaxation
|
Bartczak, W.M. |
|
1979 |
1-10 |
2 |
p. 251-259 9 p. |
artikel |
92 |
A model for two-electron four-center mixed valence systems. Application to [W4O8Cl8(H2O)4]2−
|
Girerd, J.J. |
|
1983 |
1-10 |
2 |
p. 217-226 10 p. |
artikel |
93 |
A model of localization, soliton propagation, and self-trapping in an electronically excited atomic lattice
|
Collins, Michael A. |
|
1983 |
1-10 |
2 |
p. 191-214 24 p. |
artikel |
94 |
A model of spontaneous generation of population inversion in open quantum systems
|
Čápek, V. |
|
2002 |
1-10 |
2 |
p. 131-143 13 p. |
artikel |
95 |
A Modified statistical theory of collisional energy transfer in thermal reactions
|
Bhattacharjee, Rakhal C. |
|
1978 |
1-10 |
2 |
p. 217-241 25 p. |
artikel |
96 |
A Monte Carlo simulation of energy transfer processes in thermal unimolecular reactions. II. An applications to polyatomic dissociation
|
Stace, A.J. |
|
1980 |
1-10 |
2 |
p. 147-163 17 p. |
artikel |
97 |
A Monte Carlo simulation of Fe2+ aqueous solvation
|
González-Lafont, A. |
|
1987 |
1-10 |
2 |
p. 241-247 7 p. |
artikel |
98 |
A multi-coincidence study of the double, triple photoionization and fragmentation of the SiF4 molecule around the Si 2p edge
|
Santos, A.C.F. |
|
2002 |
1-10 |
2 |
p. 315-326 12 p. |
artikel |
99 |
An AB initio molecular orbital study of the NF2 and N2F4 molecules, and ESR hyperfine coupling constants in NF2
|
Hinchliffe, A. |
|
1974 |
1-10 |
2 |
p. 271-276 6 p. |
artikel |
100 |
An ab initio molecular orbital study of the structure and vibrational frequencies of methyl copper hydride, CH3CuH
|
Quelch, Geoffrey E. |
|
1988 |
1-10 |
2 |
p. 183-187 5 p. |
artikel |
101 |
An ab initio study on MgX3
− and CaX3
− superhalogen anions (X=F, Cl, Br)
|
Anusiewicz, Iwona |
|
2003 |
1-10 |
2 |
p. 171-180 10 p. |
artikel |
102 |
An ab initio time-dependent Hartree–Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model
|
Champagne, Benoı̂t |
|
1998 |
1-10 |
2 |
p. 153-163 11 p. |
artikel |
103 |
An accurate computational determination of the relative stabilities and structures of small carbonium ions
|
Hirao, K. |
|
1984 |
1-10 |
2 |
p. 237-244 8 p. |
artikel |
104 |
An algorithm for analyzing the polarization-free picosecond fluorescence experiments on TICT, CT, PT and other relevant systems in solutions
|
Fisz, J.J. |
|
1995 |
1-10 |
2 |
p. 163-188 26 p. |
artikel |
105 |
Analysis of angular overlap parameters for Eu3+: Ln2O2S (LnLu, Y, Gd, La) crystal series
|
Wu, Zhi-Jian |
|
1992 |
1-10 |
2 |
p. 197-202 6 p. |
artikel |
106 |
Analysis of restricted rotation of the acetyl group in m- and p-nitroacetophenone anion radicals
|
Branca, M. |
|
1983 |
1-10 |
2 |
p. 253-262 10 p. |
artikel |
107 |
Analysis of vibronic intensities in the phosphorescence spectrum of dimethylbenzaldehydes in durene
|
Després, A. |
|
1984 |
1-10 |
2 |
p. 229-245 17 p. |
artikel |
108 |
Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4
|
Duran, Miquel |
|
1988 |
1-10 |
2 |
p. 201-231 31 p. |
artikel |
109 |
An analytical approximation for the number of states along the reaction coordinate
|
Agmon, Noam |
|
1980 |
1-10 |
2 |
p. 249-260 12 p. |
artikel |
110 |
An analytical determination of the proton second moment from tunnelling methyl groups, together with a numerical estimate of its modification due to the experimental signal-to-noise ratio
|
Allen, P.S. |
|
1978 |
1-10 |
2 |
p. 197-202 6 p. |
artikel |
111 |
An approach to the estimation of polyatomic vibrational radiative relaxation rates
|
Herbst, Eric |
|
1982 |
1-10 |
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A quantum-mechanical collinear model study of the collision N2 + O2
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A theoretical investigation of the variation with pressure of the ultraviolet absorption spectrum of crystalline anthracene
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Inter- and intra-molecular radiationless transitions of NO2 at around 454.6 nm
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Interpretations of the Stark effect in molecular crystals
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Intraconfigurational absorption spectroscopy of IrCl2−
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Intraconfigurational absorption spectroscopy of ReCl2−
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Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study
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Intramolecular hydrogen bonding. IX. Theoretical geometries of substituted anthraquinones relevant to proton transfer studies
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Intramolecular hydrogen bonding. X. Comparison of free jet and Shpol'skii matrix electronic spectra of 1,8-dihydroxyanthraquinone
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Intramolecular proton transfer and tunnel effects in the metastable triplet states of 2-(2′-hydroxyphenyl)benzoxazole studied by micro- and nanosecond laser flash photolysis
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Intramolecular proton transfer in various electronic states of o-hydroxybenzaldehyde
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Intramolecular relaxation of polystyrene in a theta solvent by photon-correlation spectroscopy
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Intramolecular vibrational redistribution following optical excitation
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Investigation of generalized overlap amplitudes via (e,2e) spectroscopy
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Investigation of the electronic structure of the TCNQ-TTF system. I. TCNQ and TTF monomers and dimers in the all-valence-electron approximation
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Investigation of the excited triplet states of [2.2]- and [3.3]paracyclophane
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Investigation of the gas phase infrared spectrum of HF complexed with dimethyl ether from both cell- and supersonic jet-FTIR experiments
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Investigation of the interaction between molecules at medium distances
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Investigations of the vibronic transitions in Cs2NaErCl6
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Iodine geminate recombination: On the role of shallow and deep traps
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Ionic fragmentation of carbon 1s excited metallocenes
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Ionic photofragmentation and photoionization of dimethyl ether in the VUV and soft X-ray regions (8.5–80 eV) – absolute oscillator strengths for molecular and dissociative photoionization
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Ionization and fragmentation of aniline and other organic molecules in collision with halogen atoms in the electronvolt energy range
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Ionization current detection of soft X-ray photoabsorption: Sulfur and chlorine k-shell spectra of SO2F2, SO2FCl and SO2Cl2
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Ionization of Na(3P) atoms by collisions with vibrationally excited nitrogen molecules in crossed molecular beams
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Ionization of N2O by low-energy electrons and near-thermal rare-gas ions
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Ion kinetic energy losses and excited state population in ion—molecule reactions
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Ion-molecule chemistry of C+
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Irreducible tensor analysis of sum- and difference-frequency generation in partially oriented samples
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Is HeH− a stable system?
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Isomerization and unimolecular rearrangement channels of dithioformic acid
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Isomerization dynamics in solution described by Kramers′ theory with a solvent-dependent activation energy
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Isomer-specific radiative lifetimes of molecular heteroclusters
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Isometric groups and chirality of nonrigid molecules: a generalization of Kelvin's theorem
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Isotope effects in the auger electron spectra of HBr and DBr
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Isotope effects in the dissociation dynamics of energetic hydrogen scattered from Cu(111) under glancing angles of incidence
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Isotope selective two-step photoionization study of K2 in a supersonic molecular beam
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Is there a correlation between phase transitions of phenylacetylene in liquids and frozen matrices and vibrational dynamics?
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Is there a hydride transfer between N2OH+ and saturated hydrocarbons?
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Jahn-teller distortions of SiH4
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Jahn-Teller effect in five-coordinated copper(II) complexes
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Jet-cooled infrared spectra of the formic acid dimer by cavity ring-down spectroscopy: observation of the OH stretching region
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Kerr effect in the critical solutions of propionitrile
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Kinematic effects in rotationally inelastic A + BC collisions
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Kinematics and dynamical effects in the total and differential excitation functions. A variational transition state theory analysis
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Kinetic processes in non-equilibrium carbon monoxide discharges. II. Self-consistent electron energy distribution functions
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Kinetic processes in non-equilibrium carbon monoxide discharges. I. Vibrational kinetics and dissociation rates
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Kinetics and mechanisms of CH radical reactions with fluoromethanes and carbon tetrachloride
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Kinetics of excitation and charge transfer reactions in non-polar media
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Kinetics of growth and decay of spectral holes in a tetracene-doped MTHF glass
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Kinetics of small segment motion in macromolecules with applications to hindered motion in polyethylene
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Kinetics of the hydrogen atom reactions with benzene, cyclohexadiene and cyclohexene: hydrogenation mechanism and ring cleavage
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Kinetics of the reactions of isopropoxy radicals with NO, NO2, and O2
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Kurtosis of level distributions in vibrational spectra.
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Langevin simulation of picosecond-resolved electronic spectra solution
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Large amplitude vibration in polyatomic molecules. I. A polar representation of orthogonal relative coordinates
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Large amplitude vibration in polyatomic molecules. II. The nominally Stretching excitations of acetylene in terms of an orthogonal coordinate model embracing all internal modes of motion
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Laser excitation and resolved emission spectra of supersonically cooled aluminum dimer
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Laser-excited fluorescence from s-tyriazine vapour: an analysis of vibronic coupling pathways
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Laser excited fluorescence of the Π vibronic states of BO2
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Laser flash photolysis: Quantum yield of O(1D) formation from ozone
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Laser fluorescence studies of HF rotational relaxation
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Laser fragmentation of solids
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Laser-induced flourescence of the R̄es B2 state of CS2 excited at 3547Å
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Laser-induced fluorescence detection of N+
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Laser induced fluorescence of jet-cooled non-conjugated bichromophores: bis-phenoxymethane and bis-2,6-dimethylphenoxymethane
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Laser-induced fluorescence of the P radical
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Laser-induced fluorescence of the reaction Ba + CCl4 → BaCl + CCl3
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Laser-induced molecular orientation effects in vibrational resonance-Raman spectroscopy
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Laser-induced photodissociation of HD+ ions
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Laser induced photodissociation of Hn3 at 266 nm. II. Reactions of NH(1Δ) with HN3 HCl and hydrocarbon species
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Laser induced photodissociation of Hn3 at 266 nm. I. Primary products, photofragment energy distributions and reactions of intermediates
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Laser-initiated processes within (SO2)
m
(NO)
n
weakly-bound clusters
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Laser isotope separation and the multiphoton decomposition of methanol using a pulsed HF or DF laser
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Laser schlieren study of vibrational relaxation of N2 by H2O
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Lattice dynamics of the orthorhombic phase of KClO4: Ewald's method in molecular coordinates
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Microwave spectrum, dipole moment and barrier to internal rotation of peroxyacetic acid
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Mixed-crystal packing calculations. 9-methoxyanthracene in host 9-cyanoanthracene
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Moderately high resolution fluorecence spectrum of the S1 → S0 transition of azulene
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Molecular interactions and reorientational motion of neat acetone in the liquid state. 17O NMR chemical shifts and linewidths at variable temperature
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MRD CI study of the photodissociation of HO2 into OH(X2II) + O(3P, 1D)
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artikel |
910 |
Mössbauer effect study on low-spin 1A1 ⇌ high spin 5T2 transition in [Fe(2-pic)3]Cl2
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Sorai, M. |
|
1977 |
1-10 |
2 |
p. 197-208 12 p. |
artikel |
911 |
Mössbauer lineshape studies on solid ammonium trisoxalatoferrate (III)
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Barb, D. |
|
1979 |
1-10 |
2 |
p. 239-244 6 p. |
artikel |
912 |
Mössbauer study of pentammine and pyridine complexes of iridium
|
Wagner, F.E. |
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1974 |
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2 |
p. 284-288 5 p. |
artikel |
913 |
MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations
|
De Alti, Giancarlo |
|
1983 |
1-10 |
2 |
p. 185-193 9 p. |
artikel |
914 |
MSXα calculations of octahedral clusters in titanium and vanadium oxides
|
Gubanov, V.A. |
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1975 |
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2 |
p. 319-328 10 p. |
artikel |
915 |
Multichannel quantization for molecular systems. III. Complex rotation of coordinates
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Atabek, O. |
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1981 |
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2 |
p. 195-201 7 p. |
artikel |
916 |
Multiconfiguration coupled-cluster calculations for excited electronic states: Applications to model systems
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Banerjee, Ajit |
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1984 |
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2 |
p. 215-221 7 p. |
artikel |
917 |
Multi-electrode dielectric spectroscopy
|
Evans, M.W. |
|
1990 |
1-10 |
2 |
p. 163-170 8 p. |
artikel |
918 |
Multimode effects in molecular spectra involving vibronically coupled excited states with application to pyrazine
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Heider, N. |
|
1984 |
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2 |
p. 209-220 12 p. |
artikel |
919 |
Multiphonon energy transfer in atom-surface scattering
|
Meyer, H.-D. |
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1984 |
1-10 |
2 |
p. 189-200 12 p. |
artikel |
920 |
Multiphoton absorption spectra using thermal blooming
|
Twarowski, A.J. |
|
1977 |
1-10 |
2 |
p. 259-264 6 p. |
artikel |
921 |
Multiphoton absorption spectra using thermal blooming
|
Twarowski, A.J. |
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1977 |
1-10 |
2 |
p. 253-258 6 p. |
artikel |
922 |
Multi-photon dissociation of CHBr3 at 248 and 193 nm: observation of the electronically excited CH(
A 2
Δ
) product
|
Lindner, Jörg |
|
1998 |
1-10 |
2 |
p. 329-341 13 p. |
artikel |
923 |
Multiphoton ionization and fragmentation study of acetone at XeCl excimer laser radiation
|
Liu, Houxiang |
|
1987 |
1-10 |
2 |
p. 285-287 3 p. |
artikel |
924 |
Multi-photon ionization in the mass spectrometry of polyatomic molecules: Cross sections
|
Boesl, U. |
|
1981 |
1-10 |
2 |
p. 193-204 12 p. |
artikel |
925 |
Multiphoton ionization translational spectroscopy (MITS) of I2
|
De Vries, M.S. |
|
1981 |
1-10 |
2 |
p. 157-165 9 p. |
artikel |
926 |
Multiphoton-vacuum-ultraviolet laser photodissociation of acetylene: Emission from electronically excited fragments
|
McDonald, J.R. |
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1978 |
1-10 |
2 |
p. 161-170 10 p. |
artikel |
927 |
Multiple collisions in molecular beam scattering experiments
|
Verster, N.F. |
|
1981 |
1-10 |
2 |
p. 169-176 8 p. |
artikel |
928 |
Multiple quantum spectrum of oriented hexane-d
6
|
Drobny, G. |
|
1986 |
1-10 |
2 |
p. 179-185 7 p. |
artikel |
929 |
Multiple scattering theory. III. Reactive scattering in first order
|
Wong, Joseph K.C. |
|
1979 |
1-10 |
2 |
p. 251-261 11 p. |
artikel |
930 |
Multistep photoinduced proton transfer in crystalline 2-(2′,4′-dinitrobenzyl)pyridine
|
Ziane, O |
|
1999 |
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2 |
p. 199-206 8 p. |
artikel |
931 |
Multitrajectory semiclassical treatment of vibronic excitation and charge transfer in the fixed rotor approximation
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Florescu, A. |
|
1994 |
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2 |
p. 153-163 11 p. |
artikel |
932 |
Muonium substituted organic free radicals in liquids. Theory and analysis of μSR spectra
|
Roduner, Emil |
|
1981 |
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2 |
p. 261-276 16 p. |
artikel |
933 |
Mutual influence of ligands in square complexes of transition and non-transition elements
|
Nefedov, V.I. |
|
1976 |
1-10 |
2 |
p. 255-260 6 p. |
artikel |
934 |
Na2 b 3Πu-X1–g
+ intercombination bands: Direct observation through high resolution laser fluorescence spectroscopy in a supersonic nozzle beam
|
Engelke, F. |
|
1982 |
1-10 |
2 |
p. 221-229 9 p. |
artikel |
935 |
Nanosecond laser measurements of optical absorption coefficients of electrons in polar fluids
|
Hall, G.E. |
|
1978 |
1-10 |
2 |
p. 313-322 10 p. |
artikel |
936 |
23Na relaxation in DNA solutions. Influence of intercalation on correlation times and quadrupolar coupling constants
|
Hald, Mogens |
|
1992 |
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2 |
p. 257-267 11 p. |
artikel |
937 |
Negative ion formation in proton scattering from Ba/Ag(111)
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van Slooten, U. |
|
1994 |
1-10 |
2 |
p. 227-240 14 p. |
artikel |
938 |
Negative shake-up energy in core ionization
|
Domcke, W. |
|
1979 |
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2 |
p. 149-157 9 p. |
artikel |
939 |
Network of strongly interacting atoms in liquid argon
|
Pálinkás, G. |
|
1994 |
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2 |
p. 173-178 6 p. |
artikel |
940 |
Neutron diffraction and numerical modelling investigation of methane adsorption on bundles of carbon nanotubes
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Johnson, M.R. |
|
2003 |
1-10 |
2 |
p. 217-230 14 p. |
artikel |
941 |
Neutron scattering study of the reorientational motions in Cr(CO)3(η6C6H6) and Mn(CO)3(η5C5H5)
|
Lucazeau, G. |
|
1983 |
1-10 |
2 |
p. 307-314 8 p. |
artikel |
942 |
New evidence for oriented interaction between normal alkanes and aromatic molecules from spectral solvent shifts
|
Michel, Lamotte |
|
1973 |
1-10 |
2 |
p. 245-248 4 p. |
artikel |
943 |
New fundamental concepts and results in thermodynamics 'namics with chemical applications
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Biot, M.A. |
|
1977 |
1-10 |
2 |
p. 183-198 16 p. |
artikel |
944 |
New phenomena revealed by quantum chemical studies – the shellvation of
GeH
3
+
by H2 molecules
|
Roszak, Szczepan |
|
2000 |
1-10 |
2 |
p. 177-183 7 p. |
artikel |
945 |
New spectroscopic observations in electric discharges through carbon monoxide
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Cossart, Daniel |
|
2002 |
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2 |
p. 167-179 13 p. |
artikel |
946 |
New studies of non-photochemical holes of dyes and rare-earth ions in polymers. II. Laser-induced hole filling
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Fearey, B.L. |
|
1986 |
1-10 |
2 |
p. 279-289 11 p. |
artikel |
947 |
New studies of non-photochemical holes of dyes and rare-earth ions in polymers. I. Spontaneous hole filling
|
Fearey, B.L. |
|
1986 |
1-10 |
2 |
p. 269-277 9 p. |
artikel |
948 |
New variations in two-electron integral evaluation in the context of direct SCF procedures
|
Hamilton, Tracy P. |
|
1991 |
1-10 |
2 |
p. 163-171 9 p. |
artikel |
949 |
n,π* Fluorescence from selected vibronic levels of pyrimidine-d
4 vapour: franck-condon factors, ground and excited state anharmonic coupling
|
O'Brien, James J. |
|
1987 |
1-10 |
2 |
p. 275-293 19 p. |
artikel |
950 |
NMR chemical shifts in the silver halides
|
Becker, K.D. |
|
1980 |
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2 |
p. 193-201 |
artikel |
951 |
NMR study of environment modulated proton tautomerism in crystalline and amorphous phthalocyanine
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Wehrle, Bernd |
|
1989 |
1-10 |
2 |
p. 223-247 25 p. |
artikel |
952 |
14N nuclear quadrupole coupling in cyclic amides and thioamides. Ab initio simulations of the solid state environment as interpretation of the NQR spectra of 2-pyridinone, isatin and benzothiazole-2-one. A new x-ray structure for isatin
|
Palmer, Michael H. |
|
1987 |
1-10 |
2 |
p. 219-227 9 p. |
artikel |
953 |
14N nuclear quadrupole coupling in imidazolium cations. Ab initio studies of urocanic acid, histidinium chloride and imidazolium hydrogen maleate, and comparison with experiment
|
Palmer, Michael H. |
|
1987 |
1-10 |
2 |
p. 207-218 12 p. |
artikel |
954 |
14N nuclear quadrupole coupling in solid cinnolin-4-ones. A study by nuclear quadrupole resonance, x-ray crystallography and ab initio calculations
|
Palmer, Michael H. |
|
1987 |
1-10 |
2 |
p. 213-225 13 p. |
artikel |
955 |
Non-adiabatic effects in the fragmentation of H2 at surfaces
|
Gates, G.A. |
|
1994 |
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2 |
p. 199-213 15 p. |
artikel |
956 |
Non-condon scheme of radiationless transitions for the morse oscillator model
|
Sobolewski, A.L. |
|
1983 |
1-10 |
2 |
p. 265-278 14 p. |
artikel |
957 |
Non-empirical calculations on the rydberg states of ethylene
|
Fischbach, Ursula |
|
1974 |
1-10 |
2 |
p. 265-276 12 p. |
artikel |
958 |
Non-empirical study of the structure and stability of pentahalocarbonate anions CX−
5(X F, Cl, Br). All-electron and valence-electron SCF calculations
|
Vetter, R. |
|
1986 |
1-10 |
2 |
p. 201-209 9 p. |
artikel |
959 |
Non-equilibrium effects on forward and reverse rate coefficients of reversible reactions in solutions: A stochastic approach
|
Naumann, Wolfgang |
|
1991 |
1-10 |
2 |
p. 187-196 10 p. |
artikel |
960 |
Nonequilibrium vibrational kinetics of carbon monoxide at high translational mode temperatures
|
Flament, C. |
|
1992 |
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2 |
p. 241-262 22 p. |
artikel |
961 |
Non-hydrodynamic contribution to the concentration dependence of the self diffusion of interacting brownian macroparticles
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Phillies, George D.J. |
|
1983 |
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2 |
p. 197-203 7 p. |
artikel |
962 |
Non-perturbative theory of four-wave light scattering in strong fields
|
Fracassi, Pier Francesco |
|
1987 |
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2 |
p. 169-186 18 p. |
artikel |
963 |
Nonradiative deactivation and triplet states in donor-aryl-acceptor compounds (dialkylaminobenzonitriles)
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Köhler, Gottfried |
|
1993 |
1-10 |
2 |
p. 275-290 16 p. |
artikel |
964 |
Non-relativistic and relativistic calculations on some Zn, Cd and Hg complexes
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Strömberg, Dan |
|
1989 |
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2 |
p. 207-219 13 p. |
artikel |
965 |
Nonresonant charge transfer: Semiclassical calculation of differential cross sections
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Grosser, J. |
|
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2 |
p. 187-199 13 p. |
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966 |
Nonstandard reaction kinetics: microscopic simulations of system with product removal
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Nowakowski, B. |
|
2001 |
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2 |
p. 287-292 6 p. |
artikel |
967 |
NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface
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Xie, Yaoming |
|
1989 |
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2 |
p. 179-186 8 p. |
artikel |
968 |
Note on stochastic dynamics in a coulomb field
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Das, Amal K. |
|
1981 |
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2 |
p. 249-252 4 p. |
artikel |
969 |
n-Phenyls on transition and alkali metal surfaces: from benzene to hexaphenyl
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Ramsey, M.G. |
|
1993 |
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2 |
p. 349-361 13 p. |
artikel |
970 |
3nπ* spectra of benzaldehyde. I. Vapor phosphorescence
|
Koyanagi, Motohiko |
|
1979 |
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2 |
p. 237-250 14 p. |
artikel |
971 |
Nuclear magnetic resonance study of transition metal—pyridine complexes in aqueous solutions
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Mignot, P. |
|
1976 |
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2 |
p. 261-267 7 p. |
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972 |
Nuclear quadrupole interaction of 99Mo(β−) 99Tc in various molybdenum sulfur cluster compounds and thermal decomposition products of (NH4)2 [Mo3S(S2)6]·nH2O (n=0–2)
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Mottner, P. |
|
1992 |
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2 |
p. 327-339 13 p. |
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973 |
Nuclear quadrupole moment of nitrogen from combined fully numerical and discrete basis-set calculations on NO+ and N2
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Sundholm, Dage |
|
1986 |
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2 |
p. 219-225 7 p. |
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974 |
Nuclear quadrupole relaxation of atoms and ions in polar solvents
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Stiles, P.J. |
|
1985 |
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2 |
p. 217-228 12 p. |
artikel |
975 |
O atom photoproduction dynamics and reactions in cryogenic solids
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Ryan, E.Todd |
|
1994 |
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2 |
p. 293-305 13 p. |
artikel |
976 |
Observation and interpretation of the fluorescence excitation spectrum of hexafluorobiacetyl under free jet expansion
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Soulard, L. |
|
1985 |
1-10 |
2 |
p. 293-298 6 p. |
artikel |
977 |
Observation of excited state species due to N+/N2
+ and CH3HgX (X=Cl, Br, I) collisions
|
Kushawaha, V. |
|
1988 |
1-10 |
2 |
p. 183-192 10 p. |
artikel |
978 |
Observation of large third-order optical susceptibility in (BEDT-TTF)4Re6Se5Cl9
|
Sipp, B. |
|
1990 |
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2 |
p. 299-303 5 p. |
artikel |
979 |
Observation of photon cascade emission in the Pr3+-doped perovskite KMgF3
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Sokólska, I |
|
2001 |
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2 |
p. 355-362 8 p. |
artikel |
980 |
Observation of the onset of the in-plane rotation of perinaphthyl (phenalenyl, perinaphthenyl) in the solid state by EPR and ENDOR
|
Das, U. |
|
1990 |
1-10 |
2 |
p. 253-257 5 p. |
artikel |
981 |
Observed adiabatic corrections to the born-oppenheimer approximation for diatomic molecules with ten valence electrons
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Tiemann, E. |
|
1982 |
1-10 |
2 |
p. 133-138 6 p. |
artikel |
982 |
On a raman linewidth study of molecular motion in liquid benzene
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Neuman, M.N. |
|
1976 |
1-10 |
2 |
p. 195-200 6 p. |
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983 |
On a semiclassical approach to energy transfer in polyatomic molecules
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Billing, Gert Due |
|
1978 |
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2 |
p. 227-247 21 p. |
artikel |
984 |
on μ-changes in atom-rigid-rotor collision
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poppe, D. |
|
1984 |
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2 |
p. 243-247 5 p. |
artikel |
985 |
One- and two-photon excitations of σ-conjugated chains
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Soos, Z.G. |
|
1990 |
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2 |
p. 199-207 9 p. |
artikel |
986 |
On low temperature fluorescence of perylene crystals
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Von Freydorf, E. |
|
1978 |
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2 |
p. 199-209 11 p. |
artikel |
987 |
On m-changes in atom-rigid-rotor collissions: influence of an initial rotation
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Poppe, D. |
|
1985 |
1-10 |
2 |
p. 245-251 7 p. |
artikel |
988 |
On positronium formation in low-density gases: slowing down of positrons
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Jacobsen, Finn M. |
|
1986 |
1-10 |
2 |
p. 259-267 9 p. |
artikel |
989 |
On self-consistent and stochastic treatments of V—T energy transfer in collinear atom-diatom collisions
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Schatz, George C. |
|
1977 |
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2 |
p. 263-286 24 p. |
artikel |
990 |
On static interaction in mixed molecular crystals
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|
1977 |
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2 |
p. 251-255 5 p. |
artikel |
991 |
On the calculation of the macroscopic relaxation time from the Langevin equation for a dipole in a cavity in a dielectric medium
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|
1993 |
1-10 |
2 |
p. 165-172 8 p. |
artikel |
992 |
On the connection between the shift and width of the ν(AH) IR band in hydrogen bonded systems
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Sakun, V.P. |
|
1980 |
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2 |
p. 287-290 4 p. |
artikel |
993 |
On the core hole screening mechanism in adsorbates in the absence of low lying π acceptor orbitals
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Ohno, M. |
|
1993 |
1-10 |
2 |
p. 173-183 11 p. |
artikel |
994 |
On the decay of highly excited oscillator in a crystal
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Makshantsev, B.I. |
|
1979 |
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2 |
p. 221-232 12 p. |
artikel |
995 |
On the density of states for two-level systems in amorphous solids
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Jankowiak, R. |
|
1987 |
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2 |
p. 223-231 9 p. |
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996 |
On the dependence of a critical supersaturation on pressure of a two-component background gas in a diffusion cloud chamber
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Itkin, Andrey L. |
|
1998 |
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2 |
p. 273-284 12 p. |
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997 |
On the diatomic-fragment data calculation for the diatomics-in-molecules method. Applications to NH2 and NH3
|
Polák, R. |
|
1984 |
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2 |
p. 273-282 10 p. |
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998 |
On the dielectric continuum solvent model for theoretical estimates of the conformational equilibrium of molecules with an intramolecular hydrogen bond
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|
1998 |
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2 |
p. 173-178 6 p. |
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999 |
On the diffusion mechanism of methane in a cation-free zeolite of type ZK4
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Fritzsche, S. |
|
1993 |
1-10 |
2 |
p. 229-236 8 p. |
artikel |
1000 |
On the direct calculation from the Langevin equation of the Kerr effect and higher-order nonlinear responses of an assembly of dipolar molecules
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|
1990 |
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p. 171-183 13 p. |
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