Journal of Chemical Physics 01 Jun 1997, V106, N21.

%T  On the relation between electronic structure and molecular
    dynamics. II. Sensitivity of collision induced rotational
    excitation of H{_2} by He to the electronic  wavefunction
%A  A.A.Lazarides and H.Rabitz

%T  The N{_2}H{^+}-He intermolecular potential energy
    surface. A vibrational adiabatic correction
%A  M.Meuwly and R.J.Bemish

%T  Monte Carlo simulation study of the effects of nonequilibrium
    chemical reactions during pulsed laser desorption
%A  T.E.Itina, V.N.Tokarev, W.Marine, and M.Autric

%T  Calculation and fitting of potential energy and
    dipole moment surfaces for the water molecule.
    Fully ab initio determination of vibrational
    transition energies and band intensities
%A  Gary S.Kedziora and Isaiah Shavitt

%T  Density functional study of mononitrosyls of
    first-row transition metal atoms
%A  Catherine Blanchet, Helio A.Duarte, and Dennis R.Salahub

%T  Calculation of electronic coupling matrix elements for ground and
    excited state electron transfer reactions. Comparisons of the
    generalized Mulliken Hush (GMH) and block diagonalization (BD) methods
%A  Robert J.Cave and Marshall D.Newton

%T  Benchmark calculations with correlated molecular
    wave functions. X. Comparison with "exact" MP2
    calculations on Ne, HF, H{_2}O, and N{_2}
%A  Angela K.Wilson and Thom H.Dunning, Jr.

%T  Diffusion and clustering of N{_2}O molecules in argon clusters.
    A theoretical approach by molecular dynamics simulations
%A  M.-P.Gaigeot, P.de Pujo, V.Brenner, and Ph.Millie

%T  Surface reactions driven by cluster impact.
    Oxidation of Si(111) by (O{_2}){_n}{^+} (n{_~}1600)
%A  Stephan A.Klopcic and Martin F.Jarrold

%T  A new N-body potential and basis set for adiabatic
    and non-adiabatic variational energy calculations
%A  Donald B.Kinghorn and Ludwik Adamowicz

%T  The unrestricted Hartree-Fock self consistent field calculation
    for spin density wave state in metallic carbon nanotube
%A  Katsushi Kobayashi

%T  The BCS approach to electron correlation in the
    density matrix formalism. III.
%A  M.Piris, L.A.Montero, and N.Cruz

%T  The 3d Rydberg ({^3}A{_2}) electronic state observed
    by Herzberg and Shoosmith for methylene
%A  Yukio Yamaguchi and Henry F.Schaefer III

%T  Wave packet investigation of the Renner-Teller-induced
    predissociation of DCO(A{^~2}A")
%A  Andrea Loettgers and Reinhard Schinke

%T  Structure and stability of the nitric acid-
    ammonia complex in the gas phase and in water
%A  Minh-Tuan Nguyen, Alan Jamka, Robert Cazar, and Fu-Ming Tao

%T  An accurate single-center three-dimensional numerical
    integration and its application to atomic structure calculations
%A  Kazuo Yamamoto, Hideaki Ishikawa, Kazumi Fujima, and Misako Iwasawa

%T  Ab initio calculations of the polarizability and
    the hyperpolarizability of C{_60}
%A  Patrick Norman, Yi Luo, Dan Jonsson, and Hans Agren

%T  Three dimensional calculations of collision-induced dissociation
    in He + H{_2} using infinite-order-sudden approximation
%A  Katsuyuki Nobusada and Kazuhiro Sakimoto

%T  Fast evaluation of the Coulomb energy for electron densities
%A  Jose M.Perez-Jorda and Weitao Yang

%T  The temperature and pressure dependence of
    the reaction CH + H{_2} <--> CH{_3} <--> CH{_2} + H
%A  D.Fulle and H.Hippler

%T  Dynamics of hydrogen dissociation on Pt{100}.
    Steering, screening and thermal roughening effects
%A  A.T.Pasteur, St.J.Dixon-Warren, Q.Ge, and D.A.King

%T  Diffusion of non-interacting and interacting
    lattice gases on hgeterogeneous surfaces. The
    bivariate random barrier model
%A  C.Uebing, V.Pereyra, and G.Zgrablich

%T  A quantum dynamical study of CH overtones in
    fluoroform. II. Eigenstatwe analysis of the
    {nu}{_CH}=1 and {nu}{_CH}=2 regions
%A  Andrew Maynard, Christophe Iung, and Robert E.Wyatt

%T  A slow-turning method for measuring large anisotropic
    interactions in inhomogeneously-broadened NMR spectra
%A  Edward A.Hill and James P.Yesinowski

%T  Long range moves for high density polymer simulations
%A  J.M.Deutsch

%T  Optimization of electrostatic binding free energy
%A  Lee-Peng Lee and Bruce Tidor

%T  Universal scaling for diffusion-controlled reactions among traps
%A  S.Torquato and C.L.Y.Yeong

%T  Glass transition and atomic structures in supercooled
    Ga{_0.15}Zn{_0.15}Mg{_0.7} metallic
    liquids. A constant pressure molecular dynamics study
%A  Zhao-Hui Jin, Ke Lu, Yan-Dong Gong, and Zhuang-Qi Hu

%T  Vapor pressure of partially deuterated methanes
    (CH{_3}D, CH{_2}D{_2} and CHD{_3})
%A  J.C.G.Calado, J.N.C.Lopes, M.Nunes da Ponte, and L.P.N.Rebelo

%T  Thermodynamics of binary liquid mixtures of
    partially deuterated methanes with CH{_4} or CD{_4}
%A  J.N.C.Lopes, J.C.G.Calado, L.P.N.Rebelo,
    M.Nunes da Ponte, and L.A.K.Staveley

%T  Ion-ion and ion-water interactions in an aqueous solution
    of erbium bromide (ErBr{_3}). A differential anomalous
    X-ray scattering study
%A  R.Beudert, H.Bertagnolli, and M.Zeller

%T  A Monte Carlo study of subsurface effect on
    catalytic surface reactions
%A  K.M.Khan, J.Khalifeh, K.Yaldram, and M.A.Khan

%T  Dynamics of regular star polymers. Viscoelasticity
    and oscillatory flow birefringence
%A  Fabio Ganazzoli

%T  On a modeling of voltage-application to metallic
    electrodes using density functional theory
%A  Christophe Bureau and Gerard Lecayon
%N  510721JCP