Chemical Physics, 2004, V 300, N 1-3, 10 May.

1.   
 Molecular and vibrational structure of 2,4-dinitrophenol: 
 FT-IR, FT-Raman and quantum chemical calculations  ; 
 Vasile Chi
 Pages 1-11 
 
2.   
 The influence of coordination geometry and valency on
 the K-edge absorption near edge spectra of selected 
 chromium compounds  ; 
 A. Pantelouris , H. Modrow , M. Pantelouris , 
 J. Hormes and D. Reinen
 Pages 13-22 
 
3.   
 Photolysis of water/dicyanoacetylene complexes: an
 infrared matrix isolation and theoretical study  ; 
 Z. Guennoun , N. Pietri , I. Couturier-Tamburelli 
 and J. -P. Aycard
 Pages 23-31 
 
4.   
 Analysis of mixed solvent effects on the properties
 of singlet oxygen (1Δg)  ; 
 J. Catalan , C. Diaz and L. Barrio
 Pages 33-39 
 
5.   
 Construction of an accurate quartic force field by 
 using generalised least-squares fitting and 
 experimental design  ; 
 Philippe Carbonniere , Didier Begue ,
 Alain Dargelos and Claude Pouchan
 Pages 41-51 
 
6.   
 Volumetric and infrared measurements on 
 amorphous ice structure  ; 
 C. Manca , C. Martin and P. Roubin
 Pages 53-62 
 
7.   
 Matrix isolation study of the reaction of dimethyl
 sulfoxide with CrCl2O2 and OVCl3  ; 
 Gary M. Griner , David A. Kayser and Bruce S. Ault
 Pages 63-68 
 
8.   
 UV and IR absorption spectra of C3 embedded
 in solid para-hydrogen  ; 
 Hiromichi Hoshina , Yoshiyasu Kato , Yusuke Morisawa , 
 Tomonari Wakabayashi and Takamasa Momose
 Pages 69-77 
 
9.   
 Investigation of the complex reaction coordinate 
 of acid catalyzed amide hydrolysis from 
 molecular dynamics simulations  ; 
 Dirk Zahn
 Pages 79-83 
 
10.   
 The electronic quenching rates of NO(A2+, 
 ;=0;2)  ; 
 J. B. Nee , C. Y. Juan , J. Y. Hsu , J. C. Yang 
 and W. J. Chen
 Pages 85-92 

11.   
 Absorption and magnetic circular dichroism (MCD) 
 studies of 1,4,5,8-naphthalenetetracarboxy diimides 
 in terms of CASSCF method and FC theory  ; 
 Mariusz Sterzel , Marcin Andrzejak , Marek T. Pawlikowski 
 and J. Gawroski
 Pages 93-105 
 
12.   
 Basis set effects on the energy of intramolecular 
 O–H···halogen hydrogen bridges in
 ortho-halophenols and 2,4-dihalo-malonaldehyde  ; 
 Giuseppe Buemi
 Pages 107-117 

13.   
 Effect of the nature of mendiaxon−–X+
 interactions (X+= Na+, Cu+, H+) and the hydrogen 
 bonding on the (C=O) behavior: theoretical and 
 spectroscopic study*1  ; 
 Ivelina Georgieva , Tzvetan Mihaylov , Gunther Bauer 
 and Natasha Trendafilova
 Pages 119-131 
 
14.   
 Photodestruction of NO2− using time resolved 
 multicoincidence detection photofragment spectroscopy  ; 
 Laura Dinu and Wim J. van der Zande
 Pages 133-141 
 
15.   
 Acetylenic/cyanoacetylenic complexes: simulation of
 the Titan’s atmosphere chemistry*1  ; 
 Z. Guennoun , A. Coupeaud , I. Couturier-Tamburelli , 
 N. Pietri , S. Coussan and J. -P. Aycard
 Pages 143-151 
 
16.   
Two and multilevel spectral switching of single 
molecules in polystyrene at room temperature  ; 
Frank Stracke , Christian Blum , Stefan Becker , 
Klaus Mullen and Alfred J. Meixner
Pages 153-164 

17.   
The solvation of Li+ and Na+ in acetonitrile from ab
initio-derived many-body ion–solvent potentials  ; 
Daniel Spangberg and Kersti Hermansson
Pages 165-176 
 
18.   
Theory of two-photon absorption in poly(diphenyl)
polyacetylenes  ; 
Alok Shukla
Pages 177-188 
 
19.   
Electroabsorption study of metal-to-ligand charge
transfer in an organic complex of iridium (III)  ; 
W. Stampor , J. Myk and J. Kalinowski
Pages 189-195 
 
20.   
Energy and capacity time correlation functions for
investigation of vibrational energy relaxation  ; 
D. Schwarzer , D. V. Vikhrenko and V. S. Vikhrenko
Pages 197-208 
 
21.   
The interaction of formohydroxamic acid with carbon
monoxide: FTIR matrix isolation and quantum chemistry studies  ; 
Magdalena Sadyka and Zofia Mielke
Pages 209-216 
 
22.   
 Forster energy transfer from poly(arylene–ethynylene)s
 to an erbium–porphyrin complex  ; 
 R. Pizzoferrato , L. Lagonigro , T. Ziller , A. Di Carlo ,
 R. Paolesse , F. Mandoj , A. Ricci and C. Lo Sterzo
 Pages 217-225 
 
23.   
Chromophoric interactions in [60]fullerene–porphyrin
dyads investigated by solid-state UV–Vis
and IR spectroscopies  ; 
Andrzej Graja , Iwona Olejniczak , Andrzej Bogucki , 
Davide Bonifazi and Francois Diederich
Pages 227-232 
 
24.   
Ab initio molecular orbital and RRKM calculations
of the thermal decomposition of CH2BrO radical  ; 
Evangelos Drougas and Agnie M. Kosmas
Pages 233-238 
 
25.   
Polarizabilities and dipole moments of benzaldehyde,
benzoic acid and oxalic acid in polar and nonpolar solvents  ; 
Nalan Tekin , Mustafa Cebe and Celik Tarımcı
Pages 239-246 
 
26.   
X-ray diffraction, Raman study and electrical properties
of the new mixed compound [Rb0.44(NH4)0.56]2HgCl4 · H2O  ; 
M. Loukil , A. Kabadou , Ph. Salles and A. Ben Salah
Pages 247-251 
 
27.   
Calculation of the rate constants of diffusion-controlled
chemical reactions for reagents of arbitrary shape  ; 
N. I. Chekunaev
Pages 253-266 
 
28.   
Electric polarization effects on the electronic spectral
shift of centrosymmetric compounds  ; 
Denisio M. Togashi , Silvia M. B. Costa ,
Abilio J. F. N. Sobral and A. M. dA. R. Gonsalves
Pages 267-275  
 
29.   
Titanium coverage on a single-wall carbon nanotube:
molecular dynamics simulations  ; 
Huseyin Oymak and akir Erkoc
Pages 277-283 
 
30.   
Calculation of the electronic and optical properties
of indium tin oxide by density functional theory  ; 
Scott H. Brewer and Stefan Franzen
Pages 285-293 
 
31.   
The dependence of photoinduced energy transfer on
the orientation of the acceptor with respect to the -plane
of the donor in naphthalene-linked crown
ether–Tb3+ complexes  ; 
Surajit Bhattacharyya , Maitrayee Basu Roy
and Sanjib Ghosh
Pages 295-304 
 
32.   
A quantum-classical treatment of non-adiabatic transitions  ; 
Panchanan Puzari , Sarin A. Deshpande and Satrajit Adhikari
Pages 305-323 
 
33.   
Dissociation reactions of the vinyl radical
in the A2A″ state  ; 
Bo-Zhen Chen and Ming-Bao Huang
Pages 325-334 
 
34.   
Author index  ; 
Pages 335-338 

35.   
Subject index  ; 
Pages 339-347 
 
36.   
Editorial board  ; 
Page CO2