Chemical Physics, 2001, V 270, N 2, 1 August.


Mihir Sejpal and Richard P. Messmer
On the size extensivity of second-order Moller-Plesset perturbation theory based 
on a perfectly-paired generalized valence bond reference wavefunction
237-243

Monica Pickholz and Sven Stafstrom
Theoretical investigation of the role of - interactions for the stability of 
phenylene ethynylene aggregates
245-251

Zhao-Xu Chen, Chun-Gen Liu, Yi Chen and Yuan-Sheng Jiang
Theoretical investigation on BaTiO3 with periodic density functional theory BLYP 
method
253-261

S. Tixier et al.
Electron densities for the outer valence orbitals of pyridine: comparison of EMS 
measurements with near Hartree-Fock limit and density functional theory 
calculations
263-276

Pinaki Chaudhury, Rajendra Saha and Shankar Prasad Bhattacharyya
Structure and vibrational spectroscopy of halide ion hydrates: a study based on 
genetic algorithm
277-285

B. Nowakowski, A. Lemarchand and E. Nowakowska
Nonstandard reaction kinetics: microscopic simulations of system with product 
removal
287-292

Yu.N. Makurin, A.A. Sofronov, A.I. Gusev and A.L. Ivanovsky
Electronic structure and chemical stabilization of C28 fullerene
293-308

Shunle Dong, Yan Wang and Jichen Li
Potential lattice dynamical simulations of ice
309-317

Renfei Feng, Glyn Cooper and C.E. Brion
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
319-332

Kunihiko Iwahashi, Norifumi Yamamoto, Tetsuro Fukuchi, Jyunya Furusawa and 
Hiroshi Sekiya
Hole-burning spectra of tropolone-(CO2)n (n=1,2) van der Waals complexes and 
density functional study
333-343

Isabelle Billard, Anne Rustenholtz, Laurent Semon and Klaus Lutzenkirchen
Fluorescence of UO22+ in a non-complexing medium: HClO4/NaClO4 up to 10 M
345-354

I. Sokolska and S. Kuck
Observation of photon cascade emission in the Pr3+-doped perovskite KMgF3
355-362

L. Cooper, L.G. Shpinkova, D.M.P. Holland and D.A. Shaw
A study of the threshold photoelectron spectra and the photoionisation yield 
curves of the silicon tetrahalides
363-381

M. Terzi, D. Markushev and J. Jovanovi-Kurepa
Bulk rotational relaxation time and cross-section in gas mixtures
383-390