Chemical Physics , 2004, V 305, N 1-3, 25 October.

 
1.   
 The vibrational spectrum of (H2O)2: comparison between
 anharmonic ab initio calculations and neon matrix
 infrared data between 9000 and 90 cm;1  ; 
 Y. Bouteiller and J. P. Perchard
 Pages 1-12 
 
2.   
 A DFT study of asymmetric meso-substituted
 porphyrins and their zinc complexes  ; 
 Oana Cramariuc, Terttu I. Hukka
 and Tapio T. Rantala
 Pages 13-26 
 
3.   
 Fluorescence of 4-aminophthalimide
 in supercritical CO2;ethanol mixtures  ; 
Pages 27-36 
Diana E. Wetzler, Roberto Fernandez-Prini
and Pedro F. Aramenda
 
4.   
 Renormalization group theory for fluids
 including critical region. I. Pure fluids  ; 
Jianguo Mi, Chongli Zhong, Yi-Gui Li
and Jian Chen
 Pages 37-45 
 
5.   
 Optical rotation of molecules in beams:
 the magic angle  ; 
 A. J. MacDermott and R. A. Hegstrom
 Pages 47-53
 
6.   
 A proposed experiment to measure
 the parity-violating energy difference
 between enantiomers from the optical
 rotation of chiral ammonia-like "cat" molecules  ; 
 A. J. MacDermott and R. A. Hegstrom
 Pages 55-68 
 
7.   
 Formation of the central vacancy in 
 icosahedral Lennard-Jones clusters  ; 
 Xueguang Shao, Yuhong Xiang
 and Wensheng Cai
 Pages 69-75 
 
8.   
 Electroabsorption study of vacuum-evaporated
 films of Pt(II)octaethylporphyrin  ; 
 Waldemar Stampor
 Pages 77-84 
 
9.   
 Structure and dynamics of the surfactant molecules
 in dodecyltrimethylammonium ; poly(,L-glutamate)
 self-assembled complexes  ; 
 David Zanuy, Jordi Casanovas and Carlos Alemn
 Pages 85-93 
 
10.   
 Excited state intramolecular proton transfer
 in 2-(2;-amino-3-pyridyl)-benzimidazole:
 effect of solvents  ; 
 M.M. Balamurali and S.K. Dogra
 Pages 95-103 
 
11.   
 A harmonic adiabatic approximation to 
 calculate vibrational states of ammonia  ; 
 David Lauvergnat and Andre Nauts
 Pages 105-113
 
12.   
 First hyperpolarizability in a new 
 benzimidazole derivative  ; 
 Fabiano Severo Rodembusch, 
 Tiago Buckup, Maximiliano Segala, 
 Luciana Tavares, Ricardo Rego 
 Bordalo Correia and Valter Stefani
 Pages 115-121
 
13.   
 Electronic spectroscopy of 1-naphthol/solvent 
 clusters 1-NpOH/S, S = H2O, Ar and N2  ; 
 M. Zierhut, W. Roth, S. Demmler and I. Fischer
 Pages 123-133 
 
14.   
 Structure and dynamics of Co2+ in liquid ammonia: 
 ab initio QM/MM molecular dynamics simulation  ; 
 Ria Armunanto, Christian F. Schwenk, 
 Bernhard R. Randolf and Bernd M. Rode
 Pages 135-140 
 
15.   
 First infrared spectroscopic characterization of the 
 disilyl (Si2H5) and d5-disilyl (Si2D5) radicals 
 in low temperature silane matrices  ; 
 David Sillars, Chris J. Bennett, Yoshihiro Osamura
 and Ralf I. Kaiser
 Pages 141-153 
 
16.   
 Microwave observation of H3N;SO3H2O using
 a concentric, dual-injection nozzle source  ; 
 S.W. Hunt, C.S. Brauer, M.B. Craddock,
 K.J. Higgins, A.M. Nienow and K.R. Leopold
 Pages 155-164 
 
17.   
 Density functional theory studies of 
 lithium porphyrin radicals  ; 
 Xu Lian-Cai, Li Zun-Yun, He Tian-Jing, 
 Liu Fan-Chen and Chen Dong-Ming
 Pages 165-174
 
18.   
 On photoinduced double-proton transfer
 reactions: the photophysics of the 
 9H-imidazo[1,2-a]benzimidazole dimer  ; 
 J. Cataln, J.L.G. de Paz, J.C. del Valle, 
 R.M. Claramunt and Th. Mas
 Pages 175-185 
 
19.   
 Jet-cooled and room temperature FTIR 
 spectra of the dimer of formic acid in the gas phase  ; 
 R. Georges, M. Freytes, D. Hurtmans, 
 I. Kleiner, J. Vander Auwera and M. Herman
Pages 187-196
 
20.   
 A temperature-dependent Hartree approach
 for excess proton transport in 
 hydrogen-bonded chains  ; 
 R.I. Cukier
 Pages 197-211
 
21.   
 Quantum optimal control of ozone isomerization  ; 
 Maxim Artamonov, Tak-San Ho and Herschel Rabitz
 Pages 213-222 
 
22.   
 Calculation of 0;0 excitation energies of organic
 molecules by CIS(D) quantum chemical methods  ; 
 Stefan Grimme and Ekaterina I. Izgorodina
 Pages 223-230 

23.   
 Decrease in the configurational entropy
 during a melt;s polymerization  ; 
 G.P. Johari
 Pages 231-236
 
24.   
 Scaled DFT selenium NMR chemical shieldings  ; 
 D.B. Chesnut
 Pages 237-241 
 
25.   
 Examination of the hydroperoxy radical and
 its closed-shell ;analogues ; the protonation sites:
 topological predictions and ab initio 
 study of the protonated forms  ; 
 Andrzej Bil and Zdzislaw Latajka
 Pages 243-252 
 
26.   
 A computational investigation on GenCl; and 
 GenCl (n = 1;6) clusters by density 
 functional methods  ; 
 Ju-Guang Han, Zhao-Yu Ren
 and Yun-Wu Zhang
 Pages 253-258 
 
27.   
 Nature of the electronic transitions in 
 thiacarbocyanines with a long polymethine chain  ; 
 Richard S. Lepkowicz, Olga V. Przhonska,
Joel M. Hales, Jie Fu, David J. Hagan, 
Eric W. Van Stryland, Mikhail V. Bondar, 
Yuriy L. Slominsky and Alexei D. Kachkovski
Pages 259-270
 
28.   
 Inhibition of positronium formation by 
 nitroso spin trap scavengers in 
 methanol;water mixed solvents  ; 
  Bela Levay and Morton Boros
 Pages 271-276
 
29.   
 Supramolecular porphyrin/fullerene
 interactions studied by spectral methods  ; 
 Andrzej Lapiski, Andrzej Graja, Iwona Olejniczak,
 Andrzej Bogucki and Hiroshi Imahori
 Pages 277-284
 
30.   
 Mass analyzed threshold ionization 
 spectroscopy of p -aminophenol
 cation and the substitution effect  ; 
 Yan Xie, Jung Lee Lin and Wen Bih Tzeng
 Pages 285-290
 
31.   
 A density functional study of EPR
 hyperfine coupling of vanadocene(IV) complexes  ; 
Jan Honzdek, Jaromr Vinklrek and Petr Nachtigall
 Pages 291-298 
 
32.   
 Quenching of Li(3P) by CH4, C2H4, C2H6, C3H8  ; 
 James Tucker Swindell II, Benjamin McCarter,
 Vivek Komaragiri and Solomon Bililign
 Pages 299-305
 
33.   
 Possible molecular hydrogen formation 
 mediated by the inner and outer carbon 
 atoms of typical PAH cations  ; 
 Mutsumi Hirama, Takaaki Tokosumi, 
 Toshimasa Ishida and Jun-ichi Aihara
 Pages 307-316
 
34.   
 Polarizability of acetanilide and RDX in 
 the crystal: effect of molecular geometry  ; 
 D. Tsiaousis, R.W. Munn, P.J. Smith 
 and P.L.A. Popelier
 Pages 317-323
 
35.   
 Author index  ;
 Pages 325-328 

36.   
 Subject index  ; 
 Pages 329-337 
 
37.   
 Editorial board  ;
 Pages CO2-CO2