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