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Volume 90; Issue 3-4
Main
Chemical Physics
Volume 90; Issue 3-4
Chemical Physics
Volume 90; Issue 3-4
1
On the calculation of dipole moment and polarizability derivatives by the analytical energy gradient method: Application to the formaldehyde molecule
George B. Bacskay
,
Svein Saebø
,
Peter R. Taylor
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 889 KB
Your tags:
english, 1984
2
CAS SCF and contracted CI calculations on the HO3 radical
Kirsten Broch Mathisen
,
Per E.M. Siegbahn
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 494 KB
Your tags:
english, 1984
3
An ab initio study of the satellite structure in the heteroatom core ionization of furan, pyrrole and thiophene
G. de Alti
,
P. Decleva
,
A. Lisini
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.05 MB
Your tags:
english, 1984
4
Ab initio CI study of the reaction between NH2 and NO
Hakima Abou-Rachid
,
Claude Pouchan
,
Max Chaillet
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 977 KB
Your tags:
english, 1984
5
A combination of pseudopotentials and density functionals: Results for Cun, Cun+, Agn, and Agn+ clusters (n ≤ 4)
J. Flad
,
G. Igel-Mann
,
H. Preuss
,
H. Stoll
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 1984
6
Valence-bond calculations with polarized atomic orbitals
G. Chambaud
,
M. Gérard-Aïn
,
E. Kassab
,
B. Lévy
,
P. Pernot
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.28 MB
Your tags:
english, 1984
7
IR-induced photorotamerization of propanal and 3-chloropropanal in low-temperature matrices. Ab initio optimization of conformer geometries, and calculation of torsional barrier heights
V.P. Gupta
,
T. Lotta
,
J. Murto
,
M. Räsänen
,
A. Aspiala
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 905 KB
Your tags:
english, 1984
8
Second-order polarization propagator calculations of indirect nuclear spin-spin coupling tensors in the water molecule
Jan Geertsen
,
Jens Oddershede
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 735 KB
Your tags:
english, 1984
9
Photoionisation cross section calculations for H2O and NH3 by one-center expansion and Sticltjies technique
I. Cacelli
,
R. Moccia
,
V. Carravetta
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 837 KB
Your tags:
english, 1984
10
Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model
R. Bouachir
,
M.T. Rayez
,
B. Duguay
,
J.C. Rayez
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 937 KB
Your tags:
english, 1984
11
Reaction hamiltonian and the adiabatic approach to the dynamics of chemical reaction
Vladimir Z. Kresin
,
William A. Lester Jr.
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.09 MB
Your tags:
english, 1984
12
Monte Carlo simulation of RRKM unimolecular decomposition in molecular beam experiments. III. Application to angular distributions and branching fractions for the system K + CsF
Kjell Rynefors
,
Per Anders Elofson
,
Leif Holmlid
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 1984
13
ESR spectra of trimeric heteronuclear clusters. I. Theory
B.S. Tsukerblat
,
B.Ya. Kuyavskaya
,
V.E. Fainzilberg
,
M.I. Belinskii
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 762 KB
Your tags:
english, 1984
14
ESR spectra of trimeric heteronuclear clusters. II. Paramagnetic resonance of heteronuclear chromium and iron carboxylates
B.S. Tsukerblat
,
B.Ya. Kuyavskaya
,
V.E. Fainzilberg
,
M.I. Belinskii
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 926 KB
Your tags:
english, 1984
15
Simulated T ← S spectra of benzaldehydes as a function of the energy gap between the 3ππ* and 3nπ* levels
Motohiko Koyanagi
,
Kenichi Nakashima
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 634 KB
Your tags:
english, 1984
16
Author index to volume 90
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 262 KB
Your tags:
english, 1984
17
Photophysics of cis- and trans-1-(1-indanylidene)indane. Spectroscopic evidence for aggregation of the trans isomer
J. Vogel
,
S. Schneider
,
F. Dörr
,
P. Lemmen
,
D. Lenoir
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 1.06 MB
Your tags:
english, 1984
18
The reaction of (SO2)2 and (CO2)2 with Ba
J. Nieman
,
Ron Naaman
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 850 KB
Your tags:
english, 1984
19
List of subjects
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 105 KB
Your tags:
english, 1984
20
Subject index to volume 90
Journal:
Chemical Physics
Year:
1984
Language:
english
File:
PDF, 794 KB
Your tags:
english, 1984
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