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