Journal of Chemical Physics
22 Nov 1996, V105, N20.
%T High resolution photoelectron spectroscopy of
sulfure 2p electrons in H{_2}S, SO{_2}, CS{_2}, and OCS
%A Michele R.F. Siggel, Christian Field, Leif J. Saethre, Knut J. Borve, and
T. Darrah Thomas
%T Adiabatic and non-adiabatic effects of nuclear dynamics in spectra of
decaying states. Auger spectrum of HF
%A E. Pahl, H.-D. Meyer, L.S. Cederbaum, D. Minelli, and F. Tarantelli
%T Accuracy of approximate kinetic energy functionals
in the model of Kohn-Sham equations with constrained
electron density. The FH...NCH complex as a test case
%A Tomasz Adam Wesolowski, Henry Chermette, and Jacques Weber
%T Exciplex VUV emission spectra of KrAr.
Temperature dependence and potentials
%A J.L. Subtil, C. Jonin, P. Laporte, R. Reininger, F. Spiegelmann, and
F. Spiegelmann, and P. Gurtler
%T Comparing ab initio computed energetics with thermal experiments
in surface science: CO/MgO(001)
%A Martin A. Nygren and Lars G.M. Pettersson
%T Quasielastic helium atom scattering measurements of microscopic diffusion
of CO on the Ni(110) surface
%A M.F. Bertino, F. Hoffmann, W. Steinhogl, and J.P. Toennies
%T Long-range, collision-induced hyperpolarizabilities of atoms or
centrosymmetric linear molecules. Theory and numerical results for
pairs containing H or He
%A Xiaoping Li, Katherine L.C. Hunt, Janusz Pipin, and David M. Bishop
%T Numerical simulation of the isomerization of HCN
by two perpendicular intense IR laser pulses
%A C. Dion, S. Chelkowski, A.D. Bandrauk, H. Umeda, and Y. Fujimura
%T 193.3-NM photodissociation of acetylene. Nascent state distribution
of CCH radical studied by laser-induced fluorescence
%A Yen-Chu Hsu, Fu-Tang Chen, Liang-Chien Chou, and Ying-Jen Shiu
%T A comparative theoretical study of atomic hydrogen adsorption on the
(110) faces of Al, Cu, Ni and NiAl
%A G.R. Castro, D. Drakova, M.E. Grillo, and G. Doyen
%T Coherent control of bimolecular collisions. Collinear reactive scattering
%A Daniel Holmes, Moshe Shapiro, and Paul Brumer
%T On the v{_4} bending frequency of gaseous ThF{_4}
%A R.J.M Konings
%T Bond energy oscillation in the cluster ion NO{^+} (NO)n}
%A Kenzo Hiraoka, Masayuki Nasu, Daisuke Oomori, and Akihito Minamitsu
9
%T Exchange-correlation potentials
%A David J. Tozer, Victoria E. Ingamells, and Nicholas C. Handy
%T Sum-over-states density functional perturbational theory:
Prediction of reliable {^13}C, {^15}N, and {^17}O NMR chemical shifts
%A Lars Olsson and Dieter Cremer
%T One-atom cage effect in collinear I{_2} (B)-Ar complexes.
A time-dependent wavepacket study
%A Jian-Yun Fang and Craig C. Martens
%T A complete active space valence bond (CASVB) method
%A Haruyuki Nakano, Kenichi Nakayama, Kimihiko Hirao, and Michel Dupuis
%T Ab initio and scaled potential energy surfaces for Ar-C{_2}H{_2}.
Comparison with scattering and spectroscopic experiments
%A Moonbong Yang, Millard H. Alexander, Hans-Joachim Werner, and R.J. Bemish
%T Two-pulse laser control of bond-selective fragmentation
%A Bjarne Amstrup and Niels E. Henriksen
%T On the theoretical investigation of vibronic spectra
of ethylene by ab initio calculations of the Frank-Condon factors
%A Alexander M. Mebel, Yit-Tsong Chen, and Sheng-Hsien Lin
%T Vibrational energy transfer from levels below 410 cm{^-1}in S{_1}
{_p}-difluorobenzenw. III. Different propensity rules for polyatomic
partners
%A Mudiijono and Warren D. Lawrance
%T Coriolis-dependent Stark effect of the 2v{_3} band
of methane observed by saturated absorption spectroscopy
%A Hiroyuki Sasada, Kotaro Suzumura, and Chikako Ishibashi
%T Avoiding long propagation times in wave packet calculations on scattering
with resonances. A hybrid approach involving the Lanczos method
%A Geert-Jan Kroes and Daniel Neuhauser
%T Ab initio study of NO{_2}. Part V. Nonadiabatic vibronic states and
levels of the X{^~2}A{_1}/A{^~2}B{_2} conical intersection
%A Erminia Leonardi, Carlo Petrongolo, Gerhard Hirsch, and Robert J. Buenker
%T Instantaneous normal mode analysis of liquid Na
%A Ten-Ming Wu and Shiow-Fon Tsay
%T The theta condition for linear polymer chains in continuous space and
three dimensions
%A C.W. Yong, Julian H.R. Clarke, Juan J.Freire, and M. Bishop
%T Neutron, NMR and dielectric study of ion motion in
pyridinium hexafluorophosphate
%A J.W. Wasicki, A. Kozak, Z. Pajak, P. Czarnecki, A.V. Belushkin,
and M.A. Adams
%T Study of polar dumbbell fluids from the gaseous to the liquid densities
by the reference interaction site model -1 and -2 integral equations
%A Y. Takebayashi, Y. Kimura, N. Hirota, and M. Ohba
%T Entropy-enthalpy compensation. Perturbation and relaxation in
thermodynamic systems
%A Hong Qian and J.J. Hopfield
%T Polyelectrolyte hydrogel instabilities in ionic solutions
%A Anthony E. English, Toyoichi Tanaka, and Elazer R. Edelman
%T Steady-state and time-resolved fluorescence study of some dyes in polymer
microspheres showing morphology dependent resonances
%A Prem B. Bisht, Kazuhiro Fukuda, and Satoshi Hirayama
%T Variational transition state theory for electron transfer reactions
in solution
%A Ilan Benjamin and Eli Pollak
%T Mobility and solvation of ions in channels
%A R.M. Lynden-Bell and J.C. Rasaiah
%T Computer simulations of dense hard-sphere systems
%A M.D. Rintoul and S. Torquato
%T The kinetics of the bimolecular A + B --> 0 reaction in condensed matter.
Effects of non-equilibrium charge screening
%A V.N. Kuzovkov, E.A. Kotomin, and W. von Niessen
%T Treatment of the outlying charge in continuum solvation models
%A Andreas Klamt and Volker Jonas
%T Order fluctuations in the mesophase of polydiethylsiloxane as studied by
the dipolar-correlation effect on the stimulated echo
%A F. Grinberg, R. Kimmich, M. Moller, and A. Molenberg
%T Transformations of styrene at high pressure
%A D. Gourdain, J.C. Chervin, and Ph. Pruzan
%T Fractal Brownian motion and polymers in external fields
%A Gary E. Washington