Chemical Physics, 1998, V 232, N 1-2, 15 June.
ISSN 03010104
* Monte Carlo and molecular orbital study of solvent effect on the
electronic structure and hyperfine coupling constants of the (CH3)2NO
radical: the effect of electron transfer between the solute and
solvent molecules
Yagi, T., Takase, H., Morihashi, K. and Kikuchi, O.
page 1-7
* Theoretical study of the Cl 1s and 2p near edge photoabsorption
spectra of HCl by accurate ab-initio configuration interaction and
density functional approaches
Fronzoni, G., Stener, M., Decleva, P. and De Alti, G.
page 9-23
* Bonding in molecular dications from the classical valence bond
viewpoint. A case study of CO2+
Polak, R.
page 25-36
* A Valence-Bond/Hartree-Fock method to determine the Hubbard transfer
integrals in organic conductors
Castet, F., Ducasse, L. and Fritsch, A.
page 37-47
* Theoretical study of X-ray circular dichroism of amino acids
Plashkevych, O., Carravetta, V., Vahtras, O. and Agren, H.
page 49-62
* On the electronic structure of Cu(III) and Ni(III) in La2Li1/2Cu1/2O4,
Nd2Li1/2Ni1/2O4, and Cs2KCuF6
Hu, Z., Kaindle, G., Warda, S.A., Reinen, D., de Groot, F.M.F. and
Muller, B.G.
page 63-74
* The vibrational spectroscopy of C60H36: An experimental and
theoretical study
Bini, R., Ebenhoch, J., Fanti, M., Fowler, P.W., Leach, S., Orlandi,
G., Ruchardt, Ch., Sandall, J.P.B. and Zerbetto, F.
page 75-94
* A theoretical study of the electronic structure and spectroscopic
properties of the low-lying electronic states of the molecule AlSi
Ornellas, F.R. and Iwata, S.
page 95-109
* Ultrafast laser control of vibrational dynamics for a two-dimensional
model of HONO2 in the ground electronic state: separation of
conformers, control of the bond length, selective preparation of the
discrete and the continuum states
Oppel, M. and Paramonov, G.K.
page 111-130
* Fluorescence lifetime of rovibrational states of h4-acetaldehyde and
spectra of d4-acetaldehyde
Jen, S., Hsu, T. and Chen, I.
page 131-139
* Dependence of volume-produced H? ions on the wall recombination
probability of H atoms in a low pressure H2 positive column
Loureiro, J. and Amorim, J.
page 141-149
* Solvation of chromone using combined Discrete/SCRF models
Aleman, C. and Galembeck, S.E.
page 151-159
* Pathway approach to ultrafast photochemistry: potential surfaces,
conical intersections and isomerizations of small polyenes
Fu_, W., Lochbrunner, S., Muller, A.M., Schikarski, T., Schmid, W.E.
and Trushin, S.A.
page 161-174
* Effect of pressure and temperature on the H-atom tunneling in solid
phase chemical reactions. The acridine/fluorene system
Trakhtenberg, L.I. and Klochikhin, V.L.
page 175-187
* A frequency-resolved cavity model (FRCM) for treating equilibrium and
non-equilibrium solvation energies
Basilevsky, M.V., Rostov, I.V. and Newton, M.D.
page 189-199
* A frequency-resolved cavity model (FRCM) for treating equilibrium and
non-equilibrium solvation energies 2: Evaluation of solvent
reorganization energies
Newton, M.D., Basilevsky, M.V. and Rostov, I.V.
page 201-210
* Quantitative studies of the photoabsorption (4.5-488 eV) and
photoionization (9-59.5 eV) of methyl iodide using dipole electron
impact techniques
Olney, T.N., Cooper, G. and Brion, C.E.
page 211-237
* Vibrational energy transfer processes in dye molecules after ultrafast
excitation of skeletal modes
Dahinten, T., Baier, J. and Seilmeier, A.
page 239-245