Chemical Physics, 2001, V 263, N 2-3, 15 January.

Marcus Elstner, Karl J. Jalkanen, Michaela Knapp-Mohammady, Thomas
 Frauenheim and Sándor Suhai
 Energetics and structure of glycine and alanine based model
 peptides: Approximate SCC-DFTB, AM1 and PM3 methods in  
 comparison with DFT, HF and MP2 calculations
 203-219

 Jan Lundell and Zdzislaw Latajka
 Density functional studies of hydrogen-bonded systems - II.
 Solvation of the H2O-CO complex by a nonpolar solvent    
 221-230

 Vincenzo Carravetta, Oleksandr Plashkevych and Hans Ĺgren
 A screened static-exchange potential for core electron
 Excitations
 231-242

 Gad Fischer, Rebecca Jacob and Xiaolin Cao
 The infrared spectra and structures of the valyl-glycine
 zwitterion isolated in a KBr matrix 
 243-253

 Ju-Guang Han and Frank Hagelberg
 A density functional theory investigation of CrSin (n=1-6)
 clusters   
 255-262

 Li Wang, Yun-Bo Duan, Indranath Mukhopadhyay, David S. Perry and
 Kojiro Takagi
 On the physical interpretation of torsion-rotational
 parameters for CH3OD isotopomers    
 263-270

 Fan Wang, Gongyi Hong and Lemin Li
 The error due to neglecting the core spin-orbit splitting in
 valence ZORA calculations with frozen core approximation and
 its elimination 
 271-278

 Moisey I. Belinsky
 The spin-coupling model of zero-field splitting for trimeric
 [3Fe-4S] and mixed-metal [3FeZn-4S] clusters of ferredoxins
 from Pyrococcus furiosus  
 279-300

 H. Reis, S.G. Raptis and M.G. Papadopoulos
 Electrostatic calculation of linear and non-linear optical
 properties of ice Ih, II, IX and VIII    
 301-316

 A. Ratkiewicz, J. Niedzielski and J. Turulski
 Effect of nuclear spin of a homonuclear molecule on the rate
 of ion capture  
 317-325

 T.E. Bull
 The form of an internal reorientational correlation function
 327-331

 Gudrun Gann, Patrick S. Vogt and Hanspeter Huber
 A relation between the systematic errors of a quantum
 chemical potential and of fluid properties calculated from it
 333-337

 N. Ahmad and K.M. Khan
 Subsurface oxygen in monomer-dimer catalytic reaction:
 Influence of second and third nearest neighbourhood
 339-346

 C. Barrio, J. Largo and J.R. Solana
 A corresponding states principle for the equation of state of
 hard body fluid mixtures  
 347-358

 V.I. Makarov and I.V. Khmelinskii
 Optically detected EPR effect in the
 [$\overline{\mathrm{a}}$]3Au triplet state of the
 oxalylfluoride molecule excited to the J´=2 and 4 rotational 
 levels of the 00([$\overline{\mathrm{A}}$]1Au) vibronic state
 359-377

 K.P. Meletov et al.
 Isotopic and isomeric effects in high-pressure hydrogenated
 fullerenes studied by Raman spectroscopy 
 379-388

 Matthew P. Philpott, Sophia C. Hayes, Carsten L. Thomsen and
 Philip J. Reid
 Intermolecular hydrogen bonding in chlorine dioxide
 photochemistry: A time-resolved resonance Raman study   
 389-400

 James H. Rice, Robert Aures, Jean-Pierre Galaup and Sydney Leach
 Fluorescence spectroscopy of C60 in toluene solutions at 5 K
 401-414

 B. [\mbox{\v{C}}]underlíková and L. [\mbox{\v{S}}]ikurová
 Solvent effects on photophysical properties of merocyanine 540   
 415-422

 Peter P. Levin and Silvia M.B. Costa
 Photokinetics in tetraphenylporphyrin - molecular oxygen
 system at gas/solid interfaces: effect of singlet oxygen
 quenchers on oxygen-induced delayed fluorescence   
 423-436

 Sarah Foley et al.
 Effect of halogenated compounds on the photophysics of C70
 and a monoadduct of C70: Some implications on optical
 limiting behaviour
 437-447 

 D. Aitchison and J.H.D. Eland
 Dissociative ionisation of CS2 and the formation of S2+
 449-457

 M.E. Akopyan et al.
 The approach-induced I2(E0g+ [$\mathop{\longrightarrow{}}^{\mathrm{M}}$]D0u+) 
 transitions, M=He, Ar, I2, N2, CF4
 459-470

 H. Gratz and A. Penzkofer
 Saturable absorption dynamics in the triplet system and
 triplet excitation induced singlet fluorescence of some organic molecules    
471-490

 Author index
491-495

 Subject index
497-509

 Instructions to authors
511-512