no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
1 |
Ab initio CI study of the electronic spectrum of acetone
|
Hess, Bernd |
|
1976 |
231-240 |
3-4 |
p. 267-280 14 p. |
article |
2 |
Ab initio CI study of the reaction between NH2 and NO
|
Abou-Rachid, Hakima |
|
1984 |
231-240 |
3-4 |
p. 243-255 13 p. |
article |
3 |
A combination of pseudopotentials and density functionals: Results for Cu n , Cu n +, Ag n, and Agn+ clusters (n ≤ 4)
|
Flad, J. |
|
1984 |
231-240 |
3-4 |
p. 257-269 13 p. |
article |
4 |
An ab initio study of the satellite structure in the heteroatom core ionization of furan, pyrrole and thiophene
|
de Alti, G. |
|
1984 |
231-240 |
3-4 |
p. 231-242 12 p. |
article |
5 |
A two-chromophore model for two-photon circular dichroism, Chem. Phys. 16 (1976) 419–424
|
|
|
1976 |
231-240 |
3-4 |
p. 491- 1 p. |
article |
6 |
Author index to volume 18
|
|
|
1976 |
231-240 |
3-4 |
p. 492-495 4 p. |
article |
7 |
Author index to volume 90
|
|
|
1984 |
231-240 |
3-4 |
p. 417-420 4 p. |
article |
8 |
CAS SCF and contracted CI calculations on the HO3 radical
|
Mathisen, Kirsten Broch |
|
1984 |
231-240 |
3-4 |
p. 225-230 6 p. |
article |
9 |
Collinear reactive scattering of H on H2 in the magnus approximation
|
Knapp, E.W. |
|
1976 |
231-240 |
3-4 |
p. 375-383 9 p. |
article |
10 |
Electronic energy transfer in benzene—aniline gas mixtures
|
Lardeux, C. |
|
1976 |
231-240 |
3-4 |
p. 363-373 11 p. |
article |
11 |
Electronic structure and MnO
|
Pinchemel, B. |
|
1976 |
231-240 |
3-4 |
p. 481-489 9 p. |
article |
12 |
Emission of CrO2Cl2 in rare gas solids: Excitation spectra and photoselection studies
|
Bondybey, V.E. |
|
1976 |
231-240 |
3-4 |
p. 293-299 7 p. |
article |
13 |
Endor induced electron paramagnetic resonance: Application to the resolution of overlapping spectra
|
Robinson, Bruce H. |
|
1976 |
231-240 |
3-4 |
p. 321-332 12 p. |
article |
14 |
ESR spectra of trimeric heteronuclear clusters. II. Paramagnetic resonance of heteronuclear chromium and iron carboxylates
|
Tsukerblat, B.S. |
|
1984 |
231-240 |
3-4 |
p. 373-386 14 p. |
article |
15 |
ESR spectra of trimeric heteronuclear clusters. I. Theory
|
Tsukerblat, B.S. |
|
1984 |
231-240 |
3-4 |
p. 361-371 11 p. |
article |
16 |
Formation, microwave spectrum and molecular constants of bismuth monochloride
|
Kuijpers, P. |
|
1976 |
231-240 |
3-4 |
p. 401-416 16 p. |
article |
17 |
Influence of a magnetic field on delayed fluorescence of aromatic hydrocarbons in solution
|
Lendi, K. |
|
1976 |
231-240 |
3-4 |
p. 449-468 20 p. |
article |
18 |
Infrared spectra, force constants and thermodynamic functions of matrix isolated peroxyacetic acid
|
Cugley, J. |
|
1976 |
231-240 |
3-4 |
p. 281-292 12 p. |
article |
19 |
Ionization potentials of ethylene, allene and butatriene by a green function method
|
Von Niessen, W. |
|
1976 |
231-240 |
3-4 |
p. 469-476 8 p. |
article |
20 |
IR-induced photorotamerization of propanal and 3-chloropropanal in low-temperature matrices. Ab initio optimization of conformer geometries, and calculation of torsional barrier heights
|
Gupta, V.P. |
|
1984 |
231-240 |
3-4 |
p. 291-300 10 p. |
article |
21 |
List of subjects
|
|
|
1984 |
231-240 |
3-4 |
p. 421-422 2 p. |
article |
22 |
List of subjets
|
|
|
1976 |
231-240 |
3-4 |
p. 496- 1 p. |
article |
23 |
Monte Carlo simulation of RRKM unimolecular decomposition in molecular beam experiments. III. Application to angular distributions and branching fractions for the system K + CsF
|
Rynefors, Kjell |
|
1984 |
231-240 |
3-4 |
p. 347-360 14 p. |
article |
24 |
Nuclear spin—spin coupling constants and mutual influence of the ligands
|
Nefedov, V.I. |
|
1976 |
231-240 |
3-4 |
p. 417-430 14 p. |
article |
25 |
On the calculation of dipole moment and polarizability derivatives by the analytical energy gradient method: Application to the formaldehyde molecule
|
Bacskay, George B. |
|
1984 |
231-240 |
3-4 |
p. 215-224 10 p. |
article |
26 |
On the calculation of quantum partition functions and virial coefficients by path integration
|
Jorish, V.S. |
|
1976 |
231-240 |
3-4 |
p. 257-265 9 p. |
article |
27 |
Photoionisation cross section calculations for H2O and NH3 by one-center expansion and Sticltjies technique
|
Cacelli, I. |
|
1984 |
231-240 |
3-4 |
p. 313-324 12 p. |
article |
28 |
Photophysics of cis- and trans-1-(1-indanylidene)indane. Spectroscopic evidence for aggregation of the trans isomer
|
Vogel, J. |
|
1984 |
231-240 |
3-4 |
p. 387-398 12 p. |
article |
29 |
Radiative lifetimes on singlet oxygen molecule: A perturbation-variation calculation
|
Carr, C.E. |
|
1976 |
231-240 |
3-4 |
p. 251-256 6 p. |
article |
30 |
Reaction hamiltonian and the adiabatic approach to the dynamics of chemical reaction
|
Kresin, Vladimir Z. |
|
1984 |
231-240 |
3-4 |
p. 335-346 12 p. |
article |
31 |
Rotationally inelastic wide angle scattering: the anisotropy of the repulsive interaction between Ar and CO2
|
Loesch, H.J. |
|
1976 |
231-240 |
3-4 |
p. 431-448 18 p. |
article |
32 |
Second-order polarization propagator calculations of indirect nuclear spin-spin coupling tensors in the water molecule
|
Geertsen, Jan |
|
1984 |
231-240 |
3-4 |
p. 301-311 11 p. |
article |
33 |
Second virial coefficients of F6S + Ar and F6S + Kr mixtures
|
Santafe, J. |
|
1976 |
231-240 |
3-4 |
p. 341-344 4 p. |
article |
34 |
Semiclassical theory of vibrationally inelastic collisions between two diatomic molecules, resonant case
|
Makowski, Adam J. |
|
1976 |
231-240 |
3-4 |
p. 477-480 4 p. |
article |
35 |
Simple trajectory calculations on ion pair formation in alkali atom—halogen molecule collisions
|
Aten, J.A. |
|
1976 |
231-240 |
3-4 |
p. 311-319 9 p. |
article |
36 |
Simulated T ← S spectra of benzaldehydes as a function of the energy gap between the 3ππ* and 3nπ* levels
|
Koyanagi, Motohiko |
|
1984 |
231-240 |
3-4 |
p. 399-405 7 p. |
article |
37 |
Span of an adsorbed polymer chain
|
Lax, Melvin |
|
1976 |
231-240 |
3-4 |
p. 353-361 9 p. |
article |
38 |
Spin density distribution and 13C relaxation in pyridine-N-oxide—nickel acetylacetonate complexes
|
Ronfard-Haret, J.C. |
|
1976 |
231-240 |
3-4 |
p. 345-352 8 p. |
article |
39 |
Subject index to volume 18
|
|
|
1976 |
231-240 |
3-4 |
p. 497-506 10 p. |
article |
40 |
Subject index to volume 90
|
|
|
1984 |
231-240 |
3-4 |
p. 423-432 10 p. |
article |
41 |
The ligand field at the Fe(II) ion in siderite
|
Spiering, H. |
|
1976 |
231-240 |
3-4 |
p. 243-250 8 p. |
article |
42 |
Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model
|
Bouachir, R. |
|
1984 |
231-240 |
3-4 |
p. 325-334 10 p. |
article |
43 |
Theory of intramolecular radiationless transitions
|
Metz, Fritz |
|
1976 |
231-240 |
3-4 |
p. 385-399 15 p. |
article |
44 |
The reaction of (SO2)2 and (CO2)2 with Ba
|
Nieman, J. |
|
1984 |
231-240 |
3-4 |
p. 407-416 10 p. |
article |
45 |
Time and frequency resolution of CS2 fluorescence excited by a nitrogen laser
|
Silvers, Stuart J. |
|
1976 |
231-240 |
3-4 |
p. 333-339 7 p. |
article |
46 |
Valence-bond calculations with polarized atomic orbitals
|
Chambaud, G. |
|
1984 |
231-240 |
3-4 |
p. 271-289 19 p. |
article |
47 |
Vibrational barrier for resonance π-bond movement in conjugated linear crystals
|
Chiu, Ying-Nan |
|
1976 |
231-240 |
3-4 |
p. 301-309 9 p. |
article |