Chemical Physics, 2004, V 299, N 1, 29 March.


1.   
 Electron transfer reactions induced by the triplet 
 state of thiacarbocyanine dimers, Pages 1-10 
 Alexander K. Chibisov , Tatyana D. Slavnova and Helmut Gorner

2.   
 Energy transfer in a ladder-type methyl-poly(para-phenylene)
 doped by Pt(II)octaethylporphyrin, 
 S. A. Bagnich , C. Im , H. Bassler , D. Neher and U. Scherf
 Pages 11-16 

3.   
 An electron momentum spectroscopy study of the outer valence
 orbitals of chlorodifluoromethane, 
 XuHuai Zhang , XiangJun Chen , Chunkai Xu , ChangChun Jia , 
 XiaoFeng Yin , Xu Shan , Zheng Wei and KeZun Xu
 Pages 17-24

4.   
 Ab initio conformational analysis of fluoromethyl formate and
 difluoromethyl formate, 
 Tadafumi Uchimaru , Seiji Tsuzuki , Masaaki Sugie and Akira Sekiya
 Pages 25-32

5.   
 Theoretical study on the reaction of the 1+ ground state of YS+ with
 oxygen-transfer reagent: YS+ + CO2  YO+ + COS in the gas phase, 
 Xiao-Guang Xie
 Pages 33-38 

6.   
 The dynamics of molecular dimers in the crystals of m-aminobenzoic
 acid studied by inelastic neutron scattering (INS), Raman, 
 IR spectroscopy and DFT calculations, 
 A. Pawlukoj and J. Leciejewicz
 Pages 39-45 

7.   
 Ab initio studies on the atomic-scale origin of friction between
 hydrocarbon layers, 
 Raisa Neitola and Tapani A. Pakkanen
 Pages 47-56

8.   
 Study of the diacetamide–water dimer with ab initio
 and density functional theory methods, 
 Aiping Fu , Hongliang Li , Zhengyu Zhou and Dacheng Feng
 Pages 57-66 

9.   
 Tautomerism and spectral properties of -carboline 
 (5H-pyrido[3,2-b]indole) and its N,N-dimethyl derivative
 in aqueous media, 
 M. Balon , M. A. Munoz and C. Carmona
 Pages 67-77 

10.   
 Hamiltonian operators including both symmetric and 
 antisymmetric vibrational modes for vibronic coupling
 and intervalence charge-transfer applications, 
 Jeffrey R. Reimers and Noel S. Hush
 Pages 79-82 

11.   
 Generalized oscillator strength for core excitations
 of nitrous oxide, 
 M. Barbatti , A. B. Rocha and C. E. Bielschowsky
 Pages 83-88 

12.   
 Correlating substituent parameter values to electron
 transport properties of molecules, 
 Natalie Vedova-Brook , Nikita Matsunaga and Karl Sohlberg
 Pages 89-95

13.   
 Theoretical electronic structure of the lowest-lying states
 of the LaCl molecule,  
 H. Fahs , M. Korek , A. R. Allouche and M. Aubert-Frecon
 Pages 97-103

14.   
 Study of excitation energy migration and transfer in 
 3,3'-dimethyloxacarbocyanine iodide (DMOCI) and 
 o-(6-diethylamino-3-diethylimino-3H-xanthen-9-yl) 
 benzoic acid (RB) in thin films of polyvinyl alcohol,  
 Umakanta Tripathy , Prem B. Bisht and K. K. Pandey
 Pages 105-112

15.   
 Rotational barriers in ammonium hexachlorometallates 
 as studied by NMR, tunnelling spectroscopy and 
 ab initio calculations, 
 A. Birczyski , Z. T. Lalowicz and Z. odziana
 Pages 113-122

16.   
 Transition path sampling: rearrangement of 
 age water hexamer, 
 Jin Yong Lee
 Pages 123-129 

17.   
 DFT studies of pyridine corrosion inhibitors in 
 electrical double layer: solvent, substrate, 
 and electric field effects, 
 M. Lashkari and M. R. Arshadi
 Pages 131-137 

18.   
 Quantum interference in polycyclic hydrocarbon
 molecular wires, 
 Derek Walter , Daniel Neuhauser and Roi Baer
 Pages 139-145 

19.   
 Dissociative double photoionisation of CO 
 below the CO++ threshold, 
 Y. Hikosaka and J. H. D. Eland
 Pages 147-154 

20.   
 Editorial board, 
 Page CO2