Journal of Chemical Physics
15 Nov 1996, V105, N19
%T The influence of multiple scattering processes
on the electron mobility in low density methanol gas
%A A.N. Asaad, Th. Klahn, and P. Krebs
%T Diabatic approach to the close-coupling wave packet
method in reactive scattering
%A Stavros Caratzoulas and Bret Jackson
%T A density functional study of small copper clusters. Cu{_n} (n<5)
%A P. Calaminici, A.M. Koster, N. Russo, and D. Salahub
%T Site-specific fragmentation in condensed (CH{_3}S){_2}
by sulfur K-edge photoexcitation
%A Y. Baba, K. Yoshii, and T.A. Sasaki
%T Test of the equation of state of water up to freezing at 100 and 200{^o}C
%A M. Grimsditch, S. Popova, and A. Polian
%T The torsional spectrum of CH{_3}CD{_3}
%A N. Moazzen-Ahmadi, I. Ozier, A.R.W. McKellar, and Francesco Zerbetto
%T Dissociation dynamics of Na{_n}{^+} in collision with rare-gas atoms
%A Shinji Nonose, Hideki Tanaka, Tomoyuki Mizuno, Nam Jun Kim,
Kiyohiko Someda, and Tamotsu Kondow
%T Rotational spectra, structures, and dynamics of
small Ar{_m}-(H{_2}O){_n} clusters. The Ar{_2}-H{_2} trimer
%A E. Arunan, C.E.Dykstra, T. Emilsson, and H.S. Gutowsky
%T Recovery of broad and weak electron spin echo envelope modulation (ESEEM)
lines in disordered systems with mixing-frequency ESEEM method
%A R. Song
%T Analytical derivatives of atomic zero-flux surfaces and properties of
atoms in molecules with respect to external perturbations
%A Jerzy Cioslowski and Boris B. Stefanov
%T Characterization of CH stretches on diamond C(111)
single- and nano-crystal surfaces by infrared absorption spectroscopy
%A C.-L. Cheng, J.-C. Lin, H.-C. Chang, and J.-K. Wang
%T Formulation and implementation of a relativistic unrestricted
coupled-cluster method including non-iterative connected triples
%A Lucas Visscher, Timothy J. Lee, and Kenneth G. Dyall
%T Shell structure and shapes of fermion microsystems.
A comparative study of {^3}He and Na clusters
%A Constantine Yannouleas and Uzi Landman
%T Rotational population distribution of KH ({nu}=0, 1,2, and 3) in the
reaction of K(5{^2}P{_j}, 6{^2}P{_j}, and 7{^2}P{_j} with H{_2}.
Reaction mechanism and product energy disposal
%A Dean-Kuo Liu and King-Chuen Lin
%T Global three-dimensional potential energy surfaces of H{_2}S from the
ab initio effective valence shell Hamiltonian method
%A Jonathan E. Stevens, Rajat K. Chaudhuri, and Karl F. Freed
%T Coverage, lateral order, and vibrations of atomic nitrogen on Ru(0001)
%A H. Dietrich, K. Jacobi, and G. Ertl
%T A study on the structure and vibrations of diphenylamine by
resonance-enhanced multiphoton ionisation spectroscopy and
ab initio calculations
%A Maarten G.H. Boogaarts, Gert von Helden, and Gerard Meijer
%T The infrared spectroscopy and dynamics of OCO-HCl and SCO-HCl. An example
of mode specific intermolecular energy transfer
%A L. Oudejans, D. Olson, and R.E. Miller
%T Saturation behavior in degenerate four-wave mixing with non-monochromatic,
non-Lorentzian fields
%A Y. Tang and S.A. Reid
%T On a theoretical model for the Renner-Teller
effect in tetra-atomic molecules
%A M. Peric, B. Ostojic, and B. Engels
%T Dynamics of the displacement of CO from Cu(111)
by H atoms incident from the gas phase
%A C.T. Rettner and D.J. Auerbach
%T Vibrational frequency shift of HF in helium clusters.
Quantum simulation and experiment
%A Dorte Blume, Marius Lewerenz, Friedrich Huisken, and Michael Kaloudis
%T Hydrogen abstraction from methane by Li doped
MgO. A periodic quantum mechanical study
%A R. Orlando, F. Cora, R. Millini, G. Perego, and R. Dovesi
%T A density-functional study of the intermolecular
interactions of benzene
%A Evert Jan Meijer and Michiel Sprik
%T The symmetry breaking problem in the triflouride anion.
A multireference approach
%A Fernando Mota and Juan J. Novoa
%T Ab initio based effective Hamiltonians for long-range electron-transfer.
Hartree-Fock analysis
%A Igor V. Kurnikov and David N. Beratan
%T Born-Oppenheimer type separation in the study of
the dynamics. Application to photodetachment of ClHCl{^-} and ClDCl{^-}
%A N. Rougeau, S. Marcotte, and C. Kubach
%T Multiconfiguration time-dependent Hartree (MCTDH) study on rotational
and diffractive inelastic molecule-surface scattering
%A Masahiro Ehara, H.-D. Meyer, and L.S. Cederbaum
%T Molecular dynamics study of tracer diffusion
of argon adsorbed on amorphous surfaces
%A J.L. Riccardo and W.A. Steele
%T Quantum mechanical tunneling through a time-dependent barrier`
%A Jiu-Yuan Ge and John Z.H. Zhang
%T A theoretical study of the valence and dipole-
bound states of the nitromethane anion
%A Gennady L. Gutsev and Rodney J. Bartlett
%T Ionization energies of anthracene, phenanthrene and naphthacene
%A V.G. Zakrzewski, O. Dolgounitcheva, and J.V. Ortiz
%T The intermolecular potential energy surface for
CO{_2}-Ar. Fitting to high-resolution spectroscopy
van der Waals complexes and second virial coefficients
%A Jeremy M. Hutson, Andreas Ernesti, Mark M. Law, Christine F. Roche, and
Richard J. Wheatley
%T Performance of a time-independent scattering
wave packet technique using real operators and wave functions
%A Geert-Jan Kroes and Daniel Neuhauser
%T Experimental study of the O-H ring vibrations of the methanol trimer
%A Friedrich Huisken, Michael Kaloudis, Martin Koch, and Olav Werhahn
%T A linear scaling method for Hartree-Fock exchange
calculations of large molecules
%A John C. Burant, Gustavo E. Scuseria, and Michael J. Frisch
%T Free energy calculations of small molecules in dense amorphous polymers.
Effect of the initial guess configuration in molecular dynamics studies
%A Nico F.A. van der Vegt, Wim J. Briels, Matthias Wessling,
and Heiner Strathmann
%T Model for slow relaxation in supercooled liquids
%A Shankar P. Das
%T Kinetics of morphological transition in
polystyrene-block-polybutadiene-block-polystyrene triblock copolymer melt
%A Shinichi Sakurai, Hideo Umeda, Kazuhiro Taie, and Shunji Nomura
%T Cation concentration and local ligand field of polyether-salt complexes
%A A.L.L. Videira and L.D. Carlos
%T Dynamics of an adsorbed patch and a model for
spreading of films of ultralow thicknesses
%A P. Neogi
%T An improved perturbation approach to the 2D
Edwards polymer - corrections to scaling
%A S.R. Shannon, T.C. Choy, and R.J. Fleming
%T Polarizable dipolar two-center Lennard-Jones fluids.
Computer simulations and equation of state
%A Christian Kriebel and Jochen Winkelmann
%T Field and temperature dependencies of free carrier
photogeneration efficiencies of molecular glasses
%A L.-B. Lin, S.A. Jenekhe, and P.M. Borsenberger
%T Low-field expressions for reversing-pulse electric birefringence of
ionized polyions with permanent, ionic, and electronic dipole moments.
A further extension of the ion fluctuation theory and the application
to poly({alpha},L-glutamic acid)
%A Kiwamu Yamaoka, Ryo Sasai, and Kazuhiro Kohno
%T Calculation of classical trajectories with a very large time step:
Formalism and numerical examples
%A Roberto Olender and Ron Elber
%T Copolymer brushes
%A P.G. Ferreira and L. Leibler
%T Molecular dynamics study of Na{^+} and Cl{^-} in methanol
%A G. Sese, E. Guardia, and J.A. Padro
%T Bulk and interfacial thermodynamics of a symmetric, ternary
homopolymer-copolymer mixture. A Monte Carlo study
%A M. Muller and M. Schick
%T The shape, size, aggregation, hydration, correlation times and
thermodynamic studies on macromonomer micelles
%A Bhaskar Geetha and Asit Baran Mandal