Chemical Physics, 2004, V 297, N 1-3,
1.
Mean-field theory of anisotropic potential of rank L=4 and
nonextensive formalism,
O. Kayacan
Pages 1-6
2.
Electronic spectroscopy and ligand-field analysis of
cis-carbonato(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-
tetraazacyclotetradecane)chromium(III)
chloride,
Jong-Ha Choi, In-Gyung Oh, Rolf Linder and Thomas Schonherr
Pages 7-12
3.
Stretched chemical bonds in Si6H6: a transition from ring
currents to localized -electrons?,
A. Grassi, G. M. Lombardo, R. Pucci, G. G. N. Angilella,
F. Bartha and N. H. March
Pages 13-19
4.
C–H···X interactions of fluoroform with ammonia, water,
hydrogen cyanide, and hydrogen fluoride: conventional and
improper hydrogen bonds,
Soon Ki Rhee, Seung Hoon Kim, Sik Lee and Jin Yong Lee
Pages 21-29
5.
Effect of external electric field on electron transfer in
conjugated molecular wire,
Shen-Zhuang Lu, Xiang-Yuan Li and Ji-Feng Liu
Pages 31-37
6.
Triplet energy exchange between fluorescent and phosphorescent
organic molecules in a solid state matrix,
J. Kalinowski, W. Stampor, M. Cocchi, D. Virgili,
V. Fattori and P. Di Marco
Pages 39-48
7.
Analytical global potential energy surface for the X2A'
state of HCS,
A. I. Voronin
Pages 49-54
8.
A study of the photoionisation dynamics of the
cyanogen halides,
D. M. P. Holland, I. Powis, L. Karlsson, A. B. Trofimov,
J. Schirmer and W. von Niessen
Pages 55-73
9.
A study of the valence shell photoionisation yields
of the cyanogen halides,
D. M. P. Holland and D. A. Shaw
Pages 75-84
10.
Ab initio investigations of lithium diffusion in single-walled
carbon nanotubes,
Carolina Garau, Antonio Frontera, David Quinonero,
Antoni Costa, Pablo Ballester and Pere M. Deya
Pages 85-91
11.
Colloidal InP/ZnS core–shell nanocrystals
studied by linearly and circularly polarized
photoluminescence,
L. Langof, L. Fradkin, E. Ehrenfreund, E. Lifshitz,
O. I. Micic and A. J. Nozik
Pages 93-98
12.
Proton spin–lattice relaxation in a liquid
crystal–Aerosil complex above the bulk
isotropization temperature,
E. Anoardo, F. Grinberg, M. Vilfan and R. Kimmich
Pages 99-110
13.
Lie algebraic approach to potential energy surface
for symmetrical linear tetratomic molecule,
Xiaoyan Wang and Shiliang Ding
Pages 111-119
14.
Reactions of N+ ions with ethylene: a theoretical
study on the addition mechanism into the olefin double bond,
Marco Di Stefano, Marzio Rosi and Antonio Sgamellotti
Pages 121-131
15.
Infrared depletion spectroscopy of aniline–toluene
cluster: the investigation of the red shifts of the NH2
stretching vibrations of aniline–aromatic clusters,
N. K. Piracha, F. Ito and T. Nakanaga
Pages 133-138
16.
Kinetics of triplet excitation transport in disordered
organic solids,
Jakub Wodarczyk and Borys Kierdaszuk
Pages 139-142 (
17.
Excited-state localization effects in alternating meta-
and para-linked poly(phenylene-vinylene)s,
Alexander Pogantsch, A. Kai Mahler, Gertraud Hayn, Robert Saf,
Franz Stelzer, Emil J. W. List, Jean-Luc Bredas and Egbert Zojer
Pages 143-151
18.
The fitting of potential energy and transition moment functions
using neural networks: transition probabilities in OH (A2+X2),
Ana Carla P. Bittencourt, Frederico V. Prudente and Jose David M. Vianna
Pages 153-161
19.
DNA interactions with small solutes: change in the character
of the binding of [Ru(NH3)5pz]2+ to DNA as a consequence
of changes in the solvent,
R. de la Vega, P. Perez, R. Prado-Gotor and F. Sanchez
Pages 163-169
20.
Perturbation density functional theory for nonuniform
fluid mixture based on Lagrangian theorem,
Shiqi Zhou
Pages 171-176
21.
Photo and electroluminescence studies of poly(methyl
methacrylate-co-9-anthryl methyl methacrylate),
Jeferson Ferreira de Deus, Marcelo L. Andrade,
Teresa D. Z. Atvars and Leni Akcelrud
Pages 177-186
22.
Dispersive hole growth kinetics and fluence broadening
of the zero-phonon hole of impurities in amorphous hosts,
N. C. Dang, J. M. Hayes, T. Reinot and G. J. Small
Pages 187-194
23.
Characteristics of the two-dimensional infrared
spectroscopy of helices from approximate simulations
and analytic models,
Jianping Wang and Robin M. Hochstrasser
Pages 195-219
24.
Lithium chloride ionic association in dilute aqueous
solution: a constrained molecular dynamics study,
Zhigang Zhang and Zhenhao Duan
Pages 221-233
25.
Crystal and molecular structures of
3-[1-(2-hydroxyethylamino)-ethylidene]-chroman-2,4-dione
and 2-methoxy-3-[1-(benzylamino)-ethylidene]-2,3-dihydro-2,4-dioxo-25-
benzo[e][1,2]oxaphosphinane and DFT study of intramolecular
H-bonds of related compounds,
Magdalena Maecka, Sawomir J. Grabowski and Elbieta Budzisz
Pages 235-244
26.
Self-tunnelling oscillations in non-linear quantum mechanics
and the electron-transfer problem,
P. Etchegoin
Pages 245-255
27.
Electronic excitation of tetrafluoroethylene, C2F4,
S. Eden, P. Limao-Vieira, P. A. Kendall, N. J. Mason,
J. Delwiche, M. -J. Hubin-Franskin, T. Tanaka, M. Kitajima,
H. Tanaka, H. Cho and S. V. Hoffmann
Pages 257-269 (423 K)
28.
Influence of water molecules arrangement on structure
and stability of 512 and 51262 buckyball water clusters.
A theoretical study*1, Viorel Chihaia, Stefan Adams
and Werner F. Kuhs
Pages 271-287
29.
The electronic states of isoxazole studied by VUV absorption,
electron energy-loss spectroscopies and ab initio multi-reference
configuration interaction calculations,
Isobel C. Walker, Michael H. Palmer, Jacques Delwiche, Soren V. Hoffmann,
P. Limao Vieora, Nigel J. Mason, Martyn F. Guest,
Marie-Jeanne Hubin-Franskin, J. Heinesch and A. Giuliani
Pages 289-306
30.
Interface formation between C60 and diethynyl-Zn-porphyrinato
investigated by SR-induced photoelectron and near-edge X-ray absorption
(NEXAFS) spectroscopies,
G. Polzonetti, C. Battocchio, A. Goldoni, R. Larciprete, V. Carravetta,
R. Paolesse and M. V. Russo
Pages 307-314
31.
On mechanisms of population of spin substates of polaron pairs,
Eugene L. Frankevich
Pages 315-322
32.
Intramolecular hydrogen bond in molecular and proton-transfer
forms of Schiff bases,
A. Filarowski, A. Koll, A. Karpfen and P. Wolschann
Pages 323-332 (
33.
Author index,
Pages 333-336
34.
Subject Index,
Pages 337-345
35.
Editorial board,
Page CO2
36.
Publisher' s note,
Page v