Chemical Physics, 2003, V 292, N 1, 15 July.

1.   
 A diffusion-based approach to geminate recombination
 of heme proteins with small ligands,  
V. S. Starovoitov and B. M. Dzhagarov
Pages 1-10

2.   
 A TDDFT study of the lowest excitation energies of
 polycyclic aromatic hydrocarbons,  
Maja Parac and Stefan Grimme
 Pages 11-21

3.   
 Determination of reduced Hamiltonian parameters for
 the CD3OH isotopomers of methanol,  
Li Wang, Yun-Bo Duan, Rubin Wang, Gang Duan,
Indranath Mukhopadhyay, David S. Perry and Kojiro Takagi
Pages 23-29

4.   
 In situ EPR spectroelectrochemical studies of paramagnetic
 centres in poly(3,4-ethylenedioxythiophene) (PEDOT) and
 poly(3,4-butylenedioxythiophene) (PBuDOT) films, 
A. Zykwinska, W. Domagala, A. Czardybon, B. Pilawa and M. Lapkowski
 Pages 31-45 

5.   
 The ground state tunneling splitting of the 2-pyridone · 
 2-hydroxypyridine dimer,  
Christofer S. Tautermann, Andreas F. Voegele and Klaus R. Liedl
 Pages 47-52

6.   
 Including the polarization in simulations of hydrated aluminosilicates.
 Model and application to water in silicalite, 
K. S. Smirnov and D. Bougeard
Pages 53-70 

7.   
 S–T conversion induced by magnetic field in H2CS excited
 to the single rotational levels of the  vibronic state,  
Vladimir I. Makarov
 Pages 71-80

8.   
 Radiative deactivation of 3* states in molecules with
 heteroatoms on the C2v axis. Xanthone,  
E. A. Gastilovich, V. G. Klimenko,
R. N. Nurmukhametov and S. A. Serov
 Pages 81-99

9.   
 Valence ab initio calculation of the potential energy curves
 for Ca–rare gas van der Waals molecules, 
E. Czuchaj, M. Kronicki and H. Stoll
 Pages 101-110 

10.   
 Matrix isolation infrared spectroscopic and density 
 functional theoretical studies of the reactions of silver
 and gold atoms with carbon disulfide, 
Aihua Zeng, Qingyu Kong, Yun Wang and Mingfei Zhou
 Pages 111-117 

11.   
 IFC, Page CO2