Chemical Physics Letters, 1999, V 311, N 1-2, 17 September.


Andreas Eichler, Jürgen Hafner, Axel Groß, Matthias Scheffler, 
Rotational effects in the dissociation of H2 on metal 
surfaces studied by ab initio quantum-dynamics calculations,  
pp. 1-7

D. Zerulla, D. Mayer, K.H. Hallmeier, T. Chassé, 
Angular-resolved XANES measurements of the polar and azimuthal orientation of 
alkanethiols on InP(110),  
pp. 8-12

M. Saß, J. Löbau, M. Lettenberger, A. Laubereau, 
Vibrational energy transfer of chemisorbed ethyltrichlorosilane at 
the glass/air interface,  
pp. 13-20

Ihsan Boustani, Angel Rubio, Julio A. Alonso,
Ab initio study of B32 clusters: competition 
between spherical, quasiplanar and tubular isomers,  
pp. 21-28

Jerzy Sepiol, Alexander Starukhin, Robert Kolos, Tatiana Latychevskaia, 
Jan Jasny, Alois Renn, Urs P. Wild, 
Detection and spectroscopy of single molecules in rare gas matrices: 
dibenzanthanthrene in krypton and xenon,  
pp. 29-35

Sang Kuk Lee, Dae Youl Baek,
Visible vibronic emission spectrum of the jet-cooled pentafluorobenzyl radical,  
pp. 36-40

U. Hofmann, A. Schreiber, D. Haarer, S.J. Zilker, A. Bacher, D.D.C. Bradley, 
M. Redecker, M. Inbasekaran, W.W. Wu, E.P. Woo, 
Investigations on the grating dynamics in a fast photorefractive 
guest--host polymer,  
pp. 41-46

Esa Isoniemi, Leonid Khriachtchev, Mika Pettersson, Markku Räsänen, 
Infrared spectroscopy and 266 nm photolysis of H2S2 in solid Ar,  
pp. 47-54

Swadeshmukul Santra, G. Krishnamoorthy, Sneh K. Dogra, 
Excited state intramolecular proton transfer in 2-(2'-benzamidophenyl)
benzimidazole: effect of solvents,  
pp. 55-61

C. Majumder, S.K. Kulshreshtha, G.P. Das, D.G. Kanhere,
Clustering behaviour in bimetallic clusters: a density functional 
theory based molecular dynamics study,  
pp. 62-68

Massimiliano Bienati, Carlo Adamo, Vincenzo Barone, 
Performance of a new hybrid Hartree--Fock/Kohn--Sham model (B98) in 
predicting vibrational frequencies, polarisabilities and NMR chemical shifts,  
pp. 69-76

Sne{zˇ}ana D. Zari{c´}, Cation--π interaction with 
transition-metal complex as cation,  
pp. 77-80

Yu.A. Abramov, A.V. Volkov, P. Coppens, 
On the evaluation of molecular dipole moments from multipole 
refinement of X-ray diffraction data,  
pp. 81-86

Tomasz Adam Wesolowski, 
Application of the DFT-based embedding scheme using an explicit 
functional of the kinetic energy to determine the spin density 
of Mg+ embedded in Ne and Ar matrices,  
pp. 87-92

Z.F. Liu, C.K. Siu, John S. Tse, 
Ab initio molecular dynamics study on the hydrolysis of molecular chlorine,  
pp. 93-101