Chemical Physics Letters, 1999, V 302, N 3-4, 19 March.

O.V. Gritsenko, P.R.T. Schipper, E.J. Baerends, Approximation of the
exchange-correlation Kohn--Sham potential with a statistical average of
different orbital model potentials, 
pp. 199-207

Frank Eckert, Hans-Joachim Werner, Local interpolation of ab initio
potential energy surfaces for direct dynamics studies of chemical
reactions, 
pp. 208-214

C.M. Dion, A.D. Bandrauk, O. Atabek, A. Keller, H. Umeda, Y. Fujimura,
Two-frequency IR laser orientation of polar molecules. Numerical
simulations for HCN, 
pp. 215-223

Alessandro Ponti, Simulation of one-dimensional magnetic resonance powder
lineshapes reduced to area computation, 
pp. 224-230

Wenjian Liu, Robert Franke, Michael Dolg, Relativistic ab initio and
density functional theory calculations on the mercury fluorides: Is HgF4
thermodynamically stable?, 
pp. 231-239

Vincenzo Barone, Andrea di Matteo, Franca Mele, Iberio de P.R. Moreira,
Francesc Illas, Through-bond and through-space effects in the magnetic
properties of nitroxide biradicals by an integrated QM/MM approach
including solvent effects, 
pp. 240-248

Frederico V. Prudente, Paulo H. Acioli, Quantum-Monte Carlo study of
rovibrational states of molecular systems, 
pp. 249-254

S.D. Chao, M. Hayashi, S.H. Lin, E.W. Schlag, Investigation of the validity
conditions of using an isolated-line approximation to the level-mixing
model,
pp. 255-261

Oleg V. Shishkin, Jerzy Leszczynski, The contribution of ring
conformational flexibility to the relative stability of isomeric
cyclohexadienes, 
pp. 262-266

Victor Luzhkov, Johan Åqvist, Free-energy perturbation calculations of
binding and transition-state energies: hydrolysis of phenyl esters by
β-cyclodextrin, 
pp. 267-272

J.A. Sordo, Using fuzzy set theory to assess basis set quality, 
pp. 273-280

Yong-Xue Yu, Shen-Min Li, Zhen-Feng Xu, Ze-Sheng Li, Chia-Chung Sun, Direct
dynamics study of the reaction path and rate constants of NH2+C2H6 ->
NH3+C2H5, 
pp. 281-287

Aristides Zdetsis, Bernd Engels, Michael Hanrath, Sigrid D. Peyerimhoff,
The structure of C6Si,
pp. 288-294

Stanislaw A. Kucharski, John D. Watts, Rodney J. Bartlett, Geometry and
harmonic frequency of N2 with coupled cluster methods that include
connected quadruple excitations, 
pp. 295-301

F. Buatier de Mongeot, A. Cupolillo, M. Rocca, U. Valbusa, Sub-surface
incorporation of oxygen on Ag(001) during molecular dissociation, 
pp. 302-306

G. Chambers, H.J. Byrne, Raman spectroscopic study of excited states and
photo-polymerisation of C60 from solution, 
pp. 307-311

Kaoru Kobayashi, Shigeru Nagase, Bonding features in endohedral
metallofullerenes. Topological analysis of the electron density
distribution, 
pp. 312-316

V.V. Krishnan, Kevin H. Thornton, Monique Cosman, An improved experimental
scheme to measure self-diffusion coefficients of biomolecules with an
advantageous use of radiation damping, 
pp. 317-323

Leonid Khriachtchev, Mika Pettersson, Esa Isoniemi, Jan Lundell, Markku
Räsänen, Laser-induced fluorescence studies of S2+ in solid argon, 
pp. 324-330

Kazuo Yamauchi, Shigeki Kuroki, Isao Ando, Takuo Ozaki, Akira Shoji, 17O
NMR chemical shifts and quadrupole coupling constants in solid
poly(L-alanine)s determined using a high-speed MAS technique, 
pp. 331-336

J. Jad{z.}yn, P. K{e¸}dziora, L. Hellemans, K. De Smet, Relaxation of the
Langevin saturation in dilute solution of mesogenic 10-TPEB molecules,
pp. 337-340

A.A. Shubin, O.B. Lapina, V.M. Bondareva, Characterisation of strongly
bonded V(V) species in VOx/TiO2 catalyst by static and MAS solid-state 51V
NMR spectroscopy, 
pp. 341-346

Kevin C. Weng, Chien-Chih Chiang, Ji-Yen Cheng, Shao-Ying Cheng, Roman I.
Personov, Ta-Chau Chang, Investigation of tautomeric structures of thionin
by satellite holes: matrix dependence, 
pp. 347-353

J. Miyawaki, K. Sugawara, H. Takeo, C. Dedonder-Lardeux, S.
Martrenchard-Barra, C. Jouvet, D. Solgadi, Electronic spectrum of AgNH3
complex, 
pp. 354-358

I. Nakahata, N. Matsui, Y. Akahama, H. Kawamura, Structural studies of
solid methane at high pressures, 
pp. 359-362