Chemical Physics, 2004, V 306, N 1-3, 15 November.

1.   
 A theoretical study on clusters of benzoic acid;
 water in benzene solutions  ; 
 Kritsana Sagarik, Sermsiri Chaiwongwattana
 and Phittaya Sisot
 Pages 1-12 
 
2.   
 H2CS;C6H6 cluster effects in the S;T 
 conversion dynamics of H2CS excited to 
 individual rotational levels of the  
 electron-vibrational transition: 
 OD EPR studies  ; 
 Vladimir I. Makarov and Igor V. Khmelinskii
 Pages 13-24 
 
3.   
 Theoretical studies on carbonyl halide
 water complexes  ; 
 Nobuaki Tanaka, Takumi Tamezane, 
 Hiromasa Nishikiori, Tsuneo Fujii 
 and Wade N. Sisk
 Pages 25-34 
 
4.   
 A density functional theory study on the molecular
 mechanism of the cycloaddition between
 (E)-methyl cinnamate and cyclopentadiene  ; 
 C.N. Alves, F.F. Camilo, J. Gruber
 and A.B.F. da Silva
 Pages 35-41 
 
5.   
 Deuterium substitution study on solvation
 dynamics of liquid poly(ethylene glycol)s  ; 
 Hideaki Shirota and Hiroshi Segawa
 Pages 43-50 
 
6.   
 Ab initio and direct dynamics study on
 the hydrogen abstraction reaction
 C2H3 + HCHO  ; 
 Yue Zhang, Shaowen Zhang
 and Qian Shu Li
 Pages 51-56 
 
7.   
 Theory of profiles of hydrogen bond 
 stretching vibrations: Fermi;Davydov 
 resonances in hydrogen-bonded crystals  ; 
 A.M. Yaremko, H. Ratajczak, J. Baran, 
 A.J. Barnes, E.V. Mozdor and B. Silvi
 Pages 57-70 
 
8.   
 Vibrational study, crystal structure and
 quantum calculations of 2,2;-azobipyridine
 and 4,4;-dimethyl-3,3;-dinitro-2,2;-azobipyridine  ; 
 E. Kucharska, J. Hanuza, A. Wakowska
 and Z. Talik
 Pages 71-92 
 
9.   
 C100 IPR fullerenes: temperature-dependent
 relative stabilities based on the Gibbs function  ; 
 Xiang Zhao, Hitoshi Goto and Zdenek Slanina
 Pages 93-104 
 
10.   
 Halomethylpyrroles as candidate monomers
 for conducting polymers: a theoretical study  ; 
Pages 105-113 
Hassan Sabzyan and Hossein Nikoofard
 (352 K) 
 
11.   
 DFT study of the intramolecular hydrogen
 bonds in the amino and nitro-derivatives
 of malonaldehyde  ; 
 Giuseppe Buemi and Felice Zuccarello
 Pages 115-129
 
12.   
 A theoretical study of diazirine (H2CN2), 
 diazirinyl radical (HCN2) and their related 
 cations : molecular structure, energetics
 and ionization potential  ; 
 Cristina Puzzarini and Alberto Gambi
 Pages 131-141 
 
13.   
 NMR study of the leaving ligand and 
 solvent effects on the solvolysis of (
 -oxo)bis(;-acetato)diruthenium(III) complexes  ; 
 Joana Mara Santos, Rodrigo Ribeiro da Silva,
 Andr; Luiz B. Formiga, Luzineide W. Tinoco 
 and J. Daniel Figueroa-Villar
 Pages 143-151
 
14.   
 A Davidson technique for the computation
 of dispersion constants:
 Full CI results for Be and LiH  ; 
 Gian Luigi Bendazzoli and Antonio Monari
 Pages 153-161 
 
15.   
 Morphology and stability in a half-metallic
 ferromagnetic CrO2 compound of nanops
 synthesized via a polymer precursor  ; 
 S. Biswas and S. Ram
 Pages 163-169
 
16.   
 Absorption anisotropy studies of polymethine dyes  ; 
 Richard S. Lepkowicz, Claudiu M. Cirloganu, 
 Olga V. Przhonska, David J. Hagan, Eric W. Van Stryland, 
 Mikhail V. Bondar, Yuriy L. Slominsky, 
 Alexei D. Kachkovski and Elena I. Mayboroda
 Pages 171-183 
 
17.   
 Transient behavior of 2-(2;,4;-dinitrobenzyl)pyridine
 photochromism studied by ultrafast laser
 spectroscopy  ; 
 S. Mitra, H. Ito and N. Tamai
 Pages 185-189
 
18.   
 A density functional study of backbone structures
 of polydiacetylene: destabilization of
 butatriene structure  ; 
 Hideki Katagiri, Yukihiro Shimoi and Shuji Abe
 Pages 191-200
 
19.   
 Exploring the potential energy surface 
 for proton transfer in acetylacetone  ; 
 Ivana Matanovi;, Nadja Do;li; 
 and Zlatko Mihali;
 Pages 201-207 
 
20.   
 Effect of dispersion forces on the potential
 of charged interfaces  ; 
 Stefan Woelki and Hans-Helmut Kohler
 Pages 209-217
 
21.   
 Time-resolved entanglement of bound
 and dissociative atoms and molecules  ; 
 K. Mishima, M. Hayashi and S.H. Lin
 Pages 219-227 
 
22.   
 Transport properties of some polyatomic
 gases from isotropic and effective pair
 potential energies (Part II)  ; 
 Jalil Moghadasi, Mohammad M. Papari, 
 Abdoreza Nekoie and Jan V. Sengers
 Pages 229-240
 
23.   
 Structural investigation of liquid formic
 acid by neutron diffraction. II: Isotopic
 substitution for DCOO[H/D]  ; 
 Imre Bak, Gbor Schubert, Tnde Megyes, Gbor P;links,
 Geoffrey I. Swan, John Dore and 
 Marie-Claire Bellisent-Funel
 Pages 241-251
 
24.   
 The (Lb)S1 ; S0 transition of phenylpropyne
 and phenylacetylene: an experimental
 and ab initio study  ; 
 John G. Philis, Evangelos Drougas
 and Agnie M. Kosmas
 Pages 253-263 
 
25.   
 Second-order optical effects in several
 pyrazolo-quinoline derivatives  ; 
 M. Makowska-Janusik, E. Gondek, 
 I.V. Kityk, J. Wisa, J. Sanetra and A. Danel
 Pages 265-271
 
26.   
 Basic hydrolysis of formamide in aqueous
 solution: a reliable theoretical calculation
 of the activation free energy using the 
 cluster-continuum model  ; 
 Josefredo R. Pliego, Jr.
 Pages 273-280 
 
27.   
 Vibrational contributions to the dynamic
 electric properties of the NaF molecule  ; 
 Renato Pessoa, Marcos A. Castro,  
 Orlando A.V. Amaral and Tertius L. Fonseca
 Pages 281-286 
 
28.   
 Temporal and spectral optimization 
 course analysis of coherent control
 experiments  ; 
 S.M. Weber, A. Lindinger, M. Plewicki,  
 C. Lupulescu, F. Vetter and L. W;ste
 Pages 287-293
 
29.   
 A study of the valence shell spectroscopic
and thermodynamic properties of thiophene
by photoabsorption and photoion spectroscopy  ; 
E.E. Rennie, D.M.P. Holland, D.A. Shaw,
C.A.F. Johnson and J.E. Parker
 Pages 295-308 
 
30.   
 14N nuclear quadrupole resonance in
 solid 4,4;-azoxyanisole and 
 4,4;-bis(heptyloxy)azoxybenzene  ; 
 J. Seliger and V. ;agar
 Pages 309-314
 
31.   
 Computed electronic and vibrational
 spectra of the most stable isomers
 of C48N12 azafullerene  ; 
 Emanuela Emanuele, Fabrizia Negri
 and Giorgio Orlandi
 Pages 315-324 
 
32.   
 Author index  ; 
 Pages 325-328 
 
33.   
 Subject index  ; 
 Pages 329-337 
 
34.   
 Editorial board  ; 
 Pages CO2-CO2