Chemical Physics, 2000, V 260, N 1-2, 1 October.
Victoria E. Ingamells, Manthos G. Papadopoulos and Andrzej J. Sadlej
Vibrational corrections to linear and nonlinear static
electric properties of polyatomic molecules at non-optimum reference geometry
1-10
Oleksandr Plashkevych, Timofei Privalov, Hans Ågren, Vincenzo
Carravetta and Kenneth Ruud
On the validity of the equivalent cores approximation for
computing X-ray photoemission and photoabsorption spectral bands
11-28
Renfei Feng, Yasuhiro Sakai, Yenyou Zheng, Glyn Cooper and C.E. Brion
Orbital imaging for the valence shell of sulphur dioxide:
comparison of EMS measurements with near Hartree-Fock limit
and density functional theory
29-43
Dayle M.A. Smith, Abraham F. Jalbout, Johan Smets and Ludwik Adamowicz
Cytosine anions: abinitio study
45-51
Marta Forés, Miquel Duran and Miquel Solà
Substituent effects on the intramolecular proton transfer in
the ground and lowest-lying singlet excited states of
salicylaldimine
53-64
J. Demaison, L. Margulès and James E. Boggs
The equilibrium N-H bond length
65-81
Asier Longarte, José A. Fernández, Iñigo Unamuno and Fernando Castaño
Structure and ground and first electronic excited state
vibrational modes of the ethyl-p-aminobenzoate conformers
83-93
Zolacir T. de Oliveira Jr. and M.C. dos Santos
Semi-empirical study of chain conformation and absorption
spectra of polyanilines: size, solvent and disorder effects
95-103
M. Carvajal, R. Lemus, A. Frank, C. Jung and E. Ziemniak
An extended SU(2) model for coupled Morse oscillators
(PDF 277.3 Kb)105-123
Martin J. Hansen, Anatole A. Neufeld and Jørgen Boiden Pedersen
Recombination yield of geminate radical pairs in high
magnetic fields: general results and application to free
diffusion
125-142
Sung-Hae Lee, Young-Jae Jung and Kyung-Hoon Jung
Photodissociation dynamics of CH2BrCl at 234 nm
143-150
P.K. Chowdhury
Impulsive IR-multiphoton dissociation of acrolein:
observation of non-statistical product vibrational excitation
in CO (v=1-12) by time resolved IR fluorescence spectroscopy
151-158
Kritsana Sagarik and Bernd M. Rode
Intermolecular potential for benzoic acid-water based on the
test-particle model and statistical mechanical simulations of
benzoic acid in aqueous solutions
159-182
Laura J. LaBerge and John C. Tully
A rigorous procedure for combining molecular dynamics and
Monte Carlo simulation algorithms
183-191
Hiromi Okamoto, Hironori Inishi, Yuko Nakamura, Shigeru Kohtani
and Ryoichi Nakagaki
Infrared and Raman spectra of 4-(dimethylamino)benzonitrile
and isotopomers in the ground state and vibrational analysis
193-214
F.Z. Chen, D.L. Judge and C.Y.R. Wu
Temperature dependent photoabsorption cross sections of
allene and methylacetylene in the VUV-UV region
215-223
C.M. Evans, J.D. Scott, F.H. Watson and G.L. Findley
Photoionization studies of C2H5I and C6H6 perturbed by Ar and
SF6
225-236
A. Hoxha et al.
The photoabsorption and constant ionic state spectroscopy of
vinylbromide
237-247
Jason C. Hlady and Ronald P. Steer
Electronic spectroscopy and structures of the van der Waals
complexes of [alpha],[omega]-dihaloalkanes with anthracene
249-260
Martin Schwell et al.
Photoionization mass spectrometry of six isomers of C7H8 in
the 7-22 eV photon energy range
261-279
Meng-Qiu Cai et al.
Erratum to "Quasiclassical calculation of the chemical
reaction Sr+HF" [Chemical Physics 255 (2000) 283-289]
281