Chemical Physics, 2000, V 252, N 1-2.

 Electronic and structural properties of CaH2: an ab initio 
 Hartree-Fock study
 Abderrahman El Gridani, Mohamed El Mouhtadi
 pp. 1-8

 Theoretical spectroscopic data of the HO2+ ion                     
 J.M. Robbe, M. Monnerville, G. Chambaud, P. Rosmus, P.J. Knowles
 pp. 9-16

 The attractive quartet potential energy surface for the    
 CH3C(a4A2)+CO reaction
 Hua Hou, Baoshan Wang, Yueshu Gu
 pp. 17-23

 Oxygen absorption below and near the Herzberg I continuum. Ab  
 initio calculation of the transitions probability from metastable
 states.
 Boris F. Minaev
 pp. 25-46

 A theoretical study of plutonium diketone complexes for solvent 
 extraction
 Laura Gagliardi, Nicholas C. Handy, Chris-Kriton Skylaris, Andrew Willetts
 pp. 47-55

 DFT and HF-DFT calculations of 14N quadrupole coupling constants
 in molecules
 William C. Bailey
 pp. 57-66

 Gaussian Type Orbitals basis sets for the calculation of 
 continuum properties in molecules: the differential
 photoionization cross section of acetylene
 Ivo Cacelli, Roberto Moccia, Antonio Rizzo
 pp. 67-81

 Calculation of CIDNP field dependences in biradicals in the 
 photolysis of large-ring cycloalkanones
 A.V. Popov, P.A. Purtov, A.V. Yurkovskaya
 pp. 83-95

 Motional effects on optimum coherence transfer in 2H MAS NMR 
 spectroscopy
 J.H. Kristensen, G.L. Hoatson, R.L. Vold
 pp. 97-113

 Electron-photon field dynamics: numerically exact calculations
 of multi-state molecule systems interacting with a single-mode
 coherent photon field
 Masayoshi Nakano, Kizashi Yamaguchi
 pp. 115-150

 Molecular motions in molecular glasses as studied by thermally 
 stimulated depolarisation currents (TSDC)
 Natália T. Correia, Cristina Alvarez, Joaquim J. Moura Ramos, Marc
 Descamps
 pp. 151-163

 Zwitterionic polymers for nonlinear optics  
 Catherine Combellas, François Kajzar, Grégoire Mathey, Michel Alain Petit,
 André Thiébault
 pp. 165-177

 Dynamical Lie algebraic approach to rotationally inelastic  
 scattering of molecules from surfaces
 Daren Guan, Xizhang Yi, Yujun Zheng, Shiliang Ding, Jiazhong Sun
 pp.179-189

 Time-dependent quantum dynamics study of reactive scattering of 
 the HD+CN system in the potential averaged 5D model
 Yici Zhang, Zhemin Tan, Haiyan Zhang, Qinggang Zhang, John Z.H. Zhang
 pp. 191-197

 Coupling of diffusion and reaction in the process of capillary 
 formation in alginate gel
 H. Treml, H.-H. Kohler
 pp. 199-208

 The predissociation dynamics of vibrational eigenstates in the 
 A2[Sigma]+ state of HBr+ ions: numerical solution of coupled
 time-dependent Schrödinger equations
 Mikhail V. Korolkov, Karl-Michael Weitzel
 pp. 209-219

 Stretched exponentials and barrier distributions  
 Olle Edholm, Clas Blomberg
 pp. 221-225

 Self-diffusion in liquid metals                          
 A.S. Chauhan, R. Ravi, R.P. Chhabra
 pp.227-236

 Temperature-independent onset of diffusion control during  
 polymerization in a diepoxide-amine mixture by dielectric
 measurements
 J.G. McAnanama, D.A. Wasylyshyn, G.P. Johari
 pp. 237-245

 Reassignment of ground and first excited state vibrations in
 phenol
 Wolfgang Roth, Petra Imhof, Markus Gerhards, Stephan Schumm, Karl
 Kleinermanns
 pp. 247-256

 An experimental and theoretical study of the valence shell 
 photoelectron spectrum of bromobenzene
 D.M.P. Holland, D. Edvardsson, L. Karlsson, R. Maripuu, K. Siegbahn, A.W.
 Potts, W. von Niessen
 pp. 257-278