Chemical Physics, 2001, V 273, N 2-3, 15 November.

Astrid Jurgensen and Ronald G. Cavell
Central atom 1s photoabsorption spectra of nitrogen and phosphorus AX3
(A=N, P and X=F, H) molecules
77-89

I. Baraille, C. Larrieu, A. Dargelos and M. Chaillet
Calculation of non-fundamental IR frequencies and intensities at the anharmonic 
level. I. The overtone, combination and difference bands of diazomethane, H2CN2
91-101

Yuxiang Bu
Theoretical approaches of the isomerization mechanism of GaSO isomers in doublet 
states at density functional theory levels
103-115

G. Fronzoni, M. Stener, S. Furlan and P. Decleva
Theoretical study of the photoionization shape resonances of cobaltocene and 
nickelocene
117-133

Yuji Mochizuki and Hiroshi Tatewaki
Four-component relativistic calculations on the complexes between a water 
molecule and trivalent lanthanoid and actinoid ions
135-148

Hiroto Tachikawa
Ionization dynamics of CF4-H2O complexes: a full dimensional ab initio 
trajectory study
149-157

Alessandro Lami
The localization/delocalization dilemma in mixed-valence systems: a theoretical 
investigation on the application of the photon echo technique
159-167

Shi Ying Lin, Ke Li Han and Guo Zhong He
Effects of the transition dipole moment function on the dynamics of ozone 
photodissociation: an exact 3D quantum mechanical study
169-174

Michael F. Herman
Comparison of semiclassical methods for time dependent density evolution for a 
two state model problem
175-189

Masaaki Kawai and Hiromi Nakai
-* hyperconjugation mechanism on methyl rotation in cationic state of 
substituted toluenes
191-196

Raffaele Guido Della Valle, Elisabetta Venuti, Luca Farina and Aldo Brillante
Coupling between lattice and intramolecular modes in 9,10-dimethylanthracene: 
Raman spectra under pressure and quasi-harmonic lattice dynamics calculations
197-206

Shun-ichi Kawahara, Tadafumi Uchimaru and Kazunari Taira
Electron correlation and basis set effects on strong hydrogen bond behavior: a 
case study of the hydrogen difluoride anion
207-216

J.P. Perchard
Anharmonicity and hydrogen bonding. III. Analysis of the near infrared spectrum 
of water trapped in argon matrix
217-233

Olga V. Przhonska et al.
Picosecond absorption anisotropy of polymethine and squarylium dyes in liquid 
and polymeric media
235-248

Author index
249-251

Subject index
253-259