Chemical Physics, 2003, V 289, N 2-3, 15 April.

1.
Localized-density-matrix calculation of circular dichroism
spectrum of optically active molecule,
WanZhen Liang, Satoshi Yokojima and GuanHua Chen
Pages 175-189

2.
Full-dimensional quantum wave packet study of collision-induced
vibrational relaxation between para-H2,
Shi Ying Lin and Hua Guo
Pages 191-199

3.
X-ray, MP2 and DFT studies of the structure and vibrational
spectra of trigonellinium chloride,
M. Szafran, J. Koput, Z. Dega-Szafran, A. Katrusiak,
M. Pankowski and K. Stobiecka
Pages 201-219

4.
Static polarizabilities of doubly charged polyacetylene oligomers:
basis set and electron correlation effects, 
L. N. Oliveira, O. A. V. Amaral, M. A. Castro and T. L. Fonseca
Pages 221-230

5.
Comparing electron (de)localization in the through benzene
and anthracene charge transfer, 
Padeleimon Karafiloglou and Jean-Pierre Launay
Pages 231-242

6.
Catalytic growth of Ga2O3 nanowires by physical evaporation
and their photoluminescence properties, 
Jun Zhang and Feihong Jiang
Pages 243-249

7.
Diffusional and spin-dependent theory of chemiluminescence
resulting from backward electron transfer, 
Anatoly I. Burshtein
Pages 251-261

8.
Theoretical study of the HPCl emission spectrum: re-assignment
of the vibrational progressions and comparison with HNCl,
I. Baraille, C. Larrieu, A. Dargelos and M. Chaillet
Pages 263-274

9.
Small rotational barriers for H2O flips in phase III of [Me(H2O)6](ClO4)2
with Me=Mg, Ni, and Zn, 
C. No"ldeke, B. Asmussen, W. Press, H. Bu"ttner and G. Kearley
Pages 275-280

10.
Experimental and full multiple scattering approaches to X-ray
absorption near-edge structure spectra of chloronaphthalene
in CH3I solvent, 
Kuniko Hayakawa, Takashi Fujikawa, Kazumichi Nakagawa,
Iwao Shimoyama, Roland C. Tittsworth, Paul J. Schilling
and Volker Saile
Pages 281-289

11.
Multistate vibronic interactions and nonadiabatic wave packet
dynamics in the second photoelectron band of chlorine
dioxide,
Susanta Mahapatra and Thomas Ritschel
Pages 291-307

12.
Employing functional counterpart of Lagrangian theorem to improve
on density functional theory for density profile of non-uniform fluids, 
Shiqi Zhou
Pages 309-319

13.
The importance of various degrees of freedom in the theoretical study
of the diffusion of methane in silicalite-1, 
S. Fritzsche, M. Wolfsberg and R. Haberlandt
Pages 321-333

14.
Distortable symmetrical double well: effect of local relaxation
on dielectric response, 
Vladimir A. Tolkatchev
Pages 335-347

15.
A model for bridge-assisted electron exchange between
two electrodes, 
W. Schmickler
Pages 349-357

16.
Spectroscopy and kinetics of dithiophosphinate radicals
coordinated with dithiophosphinate Ni(II) complex, 
D. Yu. Vorobyev, V. F. Plyusnin, Yu. V. Ivanov, V. P. Grivin,
S. V. Larionov and H. Lemmetyinen
Pages 359-369 

17.
Theoretical 13C NMR chemical shifts of the stable
isomers of fullerene C90, 
Guangyu Sun
Pages 371-380

18.
Organic chromophores under tensile stress, 
Ute F. Ro"hrig, Ulrike Troppmann and Irmgard Frank
Pages 381-388

19.
Collisional quenching of NCO (A2 [capital Sigma, Greek] +)
by some inorganic molecules, 
Changjin Hu, Yunzhen Liu, Linsen Pei, Jinghua Dai,
Yang Chen, Congxiang Chen and Xingxiao Ma
Pages 389-396

20.
Density functional theory investigation of porphyrin diacid:
electronic absorption spectrum and conformational inversion,
Dong-Ming Chen, Xia Liu, Tian-Jing He and Fan-Chen Liu
Pages 397-407

21.
Author Index, 
Pages 409-414

22.
Subject Index, 
Pages 415-425

23.
IFC,
Page CO2