Chemical Physics Letters, 2000, V 325, N 1-3, 21 July.

 Keshav N. Shrivastava et al.
Density-functional theory of potassium atoms in zeolite
1-6

 Robert W. Gora, Szczepan Roszak and Jerzy Leszczynski
Properties and nature of interactions in Cl[-](H2O)n n=1,6
clusters: a theoretical study  
7-14

 A.P. Lyubartsev and A. Laaksonen
Determination of effective pair potentials from ab initio
simulations: application to liquid water   
15-21

 M.D. Chen, R.B. Huang, L.S. Zheng, Q.E. Zhang and C.T. Au
A theoretical study for the isomers of neutral, cationic and
anionic phosphorus clusters P5, P7, P9     
22-28

 K.D. Sen, Jorge Garza, Rubicelia Vargas and Alberto Vela
Atomic ionization radii using Janak's theorem
29-32

 Y.L. Wang and P.S. Belton
Application of fast field cycling proton NMR relaxation
spectroscopy to a crystalline solid  
33-38

 P. Gilch, C. Musewald and M.E. Michel-Beyerle
Magnetic field dependent picosecond intersystem crossing. The
role of molecular symmetry     
39-45

 Hyo Sug Lee, Yoon Sup Lee and Gwang-Hi Jeung
Singlet and triplet [Sigma]+ excited states of NaH and KH:
undulating potential energy curves   
46-52

 Éric Sandré, Chris J. Pickard and Christian Colliex
What are the possible structures for CNx compounds? The
example of C3N     
53-60

 Byung Jin Mhin and Byung Hae Park
Relationship between charge transfer and the structural
deformation in para-substituted aniline derivatives    
61-68

 Patrick J. O'Malley
Density functional studies of phenoxyl-Na+ ion complexes:
implications for tyrosyl free radical interactions in vitro  
69-72

 Courtney L. Lopreore and Robert E. Wyatt
Quantum wave packet dynamics with trajectories: reflections
on a downhill ramp potential   
73-78

 Giovanni Granucci and Alessandro Toniolo
Molecular gradients for semiempirical CI wavefunctions with
floating occupation molecular orbitals     
79-85

 Dan Liu, Wei-Hai Fang and Xiao-Yuan Fu
An ab initio study on photodissociation of acetone
86-92

 Frank Neese
Approximate second-order SCF convergence for spin
unrestricted wavefunctions     
93-98

 Valentina Vetere, Carlo Adamo and Pascale Maldivi
Performance of the `parameter free' PBE0 functional for the
modeling of molecular properties of heavy metals 
99-105

 V.A. Morozov, E.V. Gorelik, N.N. Lukzen, R.Z. Sagdeev and 
S.V. Anishchik
Manifestation of ion-molecular charge transfer in the
kinetics of microwave field effect on recombination    
fluorescence
106-114

 Per-Olof Ĺstrand et al.
Five-membered rings as diazo components in optical data
storage devices: an ab initio investigation of the lowest
singlet excitation energies    
115-119

 Péter R. Surján
Orthogonality constrained excited states
120-126

 Tieqiao Zhang et al.
Ultrafast third-order optical nonlinearity of
polybenzonitriles  
127-131

 E.J.W. List et al.
Excitation energy migration in highly emissive semiconducting
polymers     
132-138

 Ch. Hess, M. Bonn, S. Funk and M. Wolf
Hot-band excitation of CO chemisorbed on Ru(001) studied with
broadband-IR sum-frequency generation
139-145

 Pablo Quintana et al.
Velocity map imaging and REMPI study of the photodissociation
of CH3SCH3 from the first absorption band  
146-152

 V.F. Plyusnin et al.
Optical spectroscopy of perfluorothiophenyl,
perfluorothionaphthyl, xanthate and dithiophosphinate
radicals     
153-162

 M.I. Cabaço, T. Tassaing, Y. Danten and M. Besnard
Structural study of the 1-3-5 trifluorobenzene dimer
stability: from liquid to gas densities using supercritical
conditions   
163-170

 T. Fournier, S. Pommeret, J.-C. Mialocq, A. Deflandre and R. Rozot
Femtosecond laser studies of excited state intramolecular
proton transfer in an ultraviolet-filter molecule
171-175

 T. Chen, A. Vierheilig, P. Waltner, W. Kiefer and A. Materny
The relaxation process of the excitonic states in
polydiacetylene studied by time- and wavenumber-resolved
femtosecond coherent anti-Stokes Raman scattering
176-182

 S. Kuroda et al.
Spin distributions and excitation spectra of optically
generated polarons in poly(p-phenylenevinylene) derivatives  
183-188

 Kazuaki Tokuhashi et al.
Rate constants for the reactions of OH radicals with
CF3OCF=CF2 and CF3CF=CF2 
189-195

 Frank Stracke, Christian Blum, Stefan Becker, Klaus Müllen and
 Alfred J. Meixner
Intrinsic conformer jumps observed by single molecule
spectroscopy in real time
196-202

 C.Q. Jiao, A. Garscadden and P.D. Haaland
Ionization of C3F8 by electron and ion impact
203-211

 Taka-aki Ishibashi, Hiromi Okamoto and Hiro-o Hamaguchi
Picosecond transient infrared spectra and structure of S1
diphenylacetylene in solution  
212-218

 In-Wook Hwang, Hyo-Hwi Choi, Byoung-Ki Cho, Myongsoo Lee and
 Yong-Rok Kim
Molecular dynamics of coil-rod-coil molecules depending on
their concentrations in polar or non-polar solvent: intra-   
and intermolecular interactions and charge transfer emissions
219-224

 Maria Barysz and Pekka Pyykkö
Au22+ has bound excited states
225-231

 Stuart D. Gamblin, Sophia E. Daire, Jérôme Lozeille and 
Timothy G. Wright
Further investigations of the Ă[<-][\mbox{\~{X}}] transition
of the KrˇNO and XeˇNO complexes using (1+1) REMPI     
spectroscopy
232-240

 Z. Hu, G. Kaindl, H. Ogasawara, A. Kotani and I. Felner
Ln-4f/ligand-2p covalence in BaLnO3 and Cs3LnF7 (Ln=Ce, Pr,Tb) 
241-250

 J.P. Yang et al.
White light emission from a single layer organic light
emitting diode fabricated by spincoating   
251-256

 S. Kück and I. Sokólska
The up-conversion of near-infrared excitation radiation in
Ho3+-doped LiYF4   
257-263

 Jiaxi Wang and Leif Holmlid
Polarization effects in laser photofragmentation of Rydberg
Matter clusters KN* in a weak electric field     
264-268

 Jae-Yel Yi
Atomic and electronic structures of small GaAs clusters
269-274

 Ken-ichi Fukui, Rong-Li Lo, Shigeki Otani and Yasuhiro Iwasawa
Novel selective etching reaction of carbon atoms on
molybdenum carbide by oxygen at room temperature visualized
by scanning tunneling microscopy     
275-280

 Masahiro Kinoshita
Binary fluid mixture confined between macroparticles:
surface-induced phase transition and long-range surface
forces 
281-287

 N.S. Andreev et al.
Photoinduced chesorluminescence from radical processes on
ZrO2 surfaces
288-292

 Masashi Nakamura and Masatoki Ito
Monomer and tetramer water clusters adsorbed on Ru(0001)
293-298

 Evan G. Robertson
IR-UV ion-dip spectroscopy of N-phenyl formamide, and its
hydrated clusters  
299-307

 V.M. Agranovich, K. Schmidt and K. Leo
Surface states in molecular chains with strong mixing of
Frenkel and charge-transfer excitons 
308-316

 Reinhart Ahlrichs, Filipp Furche and Stefan Grimme
Comment on "Assessment of exchange correlation functionals"
[A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000)
160-166]     
317-321