Journal of Chemical Physics 08 Sep 1996, V105, N10.


  Collective coordinates for nuclear spectral
  densities in energy transfer and femtosecond
  spectroscopy of molecular aggregates
  Vladimir Chernyak and Shaul Mukamel
  
%T  Structural relaxation in nitromethane-like
    molecules
%A  Georg Ole Sorensen

%T  Non-additive, three-body dipoles and forces on
    nuclei.  New interrelations and an electro-
    static interpretation
%A  X. Li and K.L.C. Hunt

%T  Surprising cases of divergent behaviour in
    Moller-Plesset perturbation theory
%A  Jeppe Olsen, Ove Christiansen, Henrik Koch,
    and Poul Jorgensen

%T  Unified semiclassical theory for the two-state
    system.  Analytical solutions for scattering
    matrices
%A  Chaoyuan Zhu

%T  Rotational autoionization and interseries
    coupling of high Rydberg states by the
    anisotropy of the molecular core.  The
    quantal long time evolution
%A  F. Remacle and R.D. Levine

%T  Erratum:  The susceptibility critical exponent for a
    nonaqueous ionic binary mixture near a consolute
    point
    [J. Chem. Phys. 97, 8692 (1992)]
%A  Kaichang J. Zhang, Matthew E. Briggs,
    Robert W. Gammon, and J.M.H. Levelt Sengers

%T  Pressure broadening and line shift measurements of
    carbon monoxide in collision with helium from 1 to
    600 kelvin
%A  Matthew M. Beaky, Thomas M. Goyette, and
    Frank C. De Lucia

%T  Linewidths and shifts of very low temperature CO
    in He.  A challenge for theory or experiment
%A  Mark Thachuk, Claudio E. Chuaqui, and
    Robert J. LeRoy

%T  Erratum:  A modification of the Gaussian-2 approach
    using density functional theory
    [J. Chem. Phys. 103, 1788 (1995)]
%A  Charles W. Bauschlicher, Jr. and Harry Partridge

%T  Erratum:  Inert gas scattering from molten metals.
    Probing the stiffness and roughness of the surfaces
    of atomic liquids
    [J. Chem. Phys. 104, 4842 (1996)]
%A  Warren R. Ronk, Daniel V. Kowalski,
    Michelle Manning, and Gilbert M. Nathanson

%T  Non-additive interactions in the H{_2} trimer
%A  Sean A.C. McDowell

%T  H{_2} dissociation on metal surfaces:  6D approxi-
    mate quantum calculations
%A  Nicholas S. Munn and David C. Clary

%T  Absolute partial cross sections for electron-impact
    ionization of CO{_2} from threshold to 1000 eV
%A  H.C. Straub, B.G. Lindsay, K.A. Smith, and
    R.F. Stebbings

%T  The vibrational spectra of molecular ions isolated
    in solid neon.  XIII.  Ions derived from HBr and
    HI
%A  Catherine L. Lugez, Marilyn E. Jacox,
    and Warren E. Thompson

%T  Single molecules of dibenzanthanthrene in
    n-hexadecane
%A  A.-M. Boiron, B. Lounis, and M. Orrit

%T  The resonance fluorescence polarization of free
    rotors:  Methyl iodide in methane and carbon
    dioxide
%A  L.D. Ziegler and R. Fan

%T  Van der Waals clusters in the ultra-quantum
    limit. A Monte Carlo study
%A  M. Meierovich, A. Mushinski, and M.P. Nightingale

%T  Zero-field-splitting and {pi}-electron spin densities
    in the lowest excited triplet state of oligothio-
    phenes
%A  M. Bennati, K. Nemeth, P.R. Surjan, and
    M. Mehring

%T  Ewald artifacts in liquid state molecular dynamics
    simulations
%A  Paul E. Smith and B. Montgomery Pettitt

%T  Photodyamics of charge tranfer and ion-pair states
    of Cl{_2}:Xe complexes in liquid Ar
%A  M.H. Hill and V.A. Apkarian

%T  A special singular perturbation method for kinetic
    model reduction.  With application to an H{_2}/O{_2} oxi-
    dation model
%A  Genyuan Li and Herschel Rabitz

%T  The unimolecular dissociation of HCO.  II.  Com-
    parison of calculated resonance energies and widths 
    with high-resolution spectroscopic data
%A  Hans-Martin Keller, Heiner Floethmann, 
    Abigail J. Dobbyn, Reinhard Schinke, 
    Hans-Joachim Werner, Cornelia Bauer, and Pavel Rosmus

%T  Calculation of the rotational Raman spectrum
    of H{_2} in ice
%A  H.S. Mei, L. Xiao, and D.F. Coker

%T  Electron states of benzene-Br{_2} donor-acceptor
    complex.  HeI photoelectron spectroscopy and
    ab-initio MO study
%A  S.P. Ananthavel and M.S. Hegde

%T  On the VUV radical photolysis CH{_2}(1{^3}B{_1}) +
    h{nu} --> CH(A{^2}{DELTA}) + H(1{^2}S):  A combined experi-
    mental and theoretical investigation
%A  Ch. Ka{beta}ner, F. Stuhl, M. Luo, M. Lehner,
    R. Fink, and M. Jungen

%T  A molecular beam optical/Stark study of calcium
    monomethyl
%A  A.J. Marr, F. Grieman, and T.C. Steimle

%T  Molecular rotations in vibronically coupled
    systems
%A  M. Mayer and L.S. Cederbaum

%T  Polarized infrared attenuated total reflection 
    spectroscopy for three-dimensional structural 
    analysis on long-chain compounds
%A  Fumitoshi Kaneko, Hideki Miyamoto, and
    Masamichi Kobayashi

%T  The effect of a model environment on the S{_2} absorp-
    tion spectrum of pyrazine:  A wavepacket study
    treating all 24 vibrational modes
%A  G.A. Worth, H.-D. Meyer, and L.C. Cederbaum

%T  High-resolution infrared spectroscopy of isotopic
    impurity Q1(0) transitions in solid parhydrogen
%A  David P. Weliky, Karen E. Kerr, Teresa J. Byers,
    Yu Zhang, Takamasa Momose, and Takeshi Oka

%T  On the inclusion of the Breit interaction term in
    the closed-shell generator coordinate Dirac-Fock
    formalism
%A  F.E. Jorge and A.B.F. da Silva

%T  The nuclear Fukui function and Berlin's binding
    function in density functional theory
%A  Bart G. Baekelandt

%T  Raman rotational spectra of endohedral C{_60}
    fullerene complexes
%A  J. Hernandez-Rojas, J. Breton, and
    J.M. Gomez Llorente

%T  A high resolution photoionization study of Ne
    and Ar.  Observation of mass analyzed threshold
    ions using synchrotron radiation and dc electric
    fields
%A  C.-W. Hsu, M. Evans, P. Heimann, K.T. Lu,
    Y.-J. Chen, and C.Y. Ng

%T  Multi-reference self-consistent size-extensive
    state-selective configuration interaction
%A  Ludwik Adamowicz and Jean-Paul Malrieu

%T  A systematic strategy for design of optimum coherent
    experiments applied to efficient interconversion of
    double- and single-quantum coherences in NMR
%A  N.C. Nielsen, H. Thogersen, and
    O.W. Sorensen

%T  Photofragments CH{_3}(X{^~ 2}A{_2}") + HCO(X{^~ 2}A') from
    acetaldehyde.  Distributions of rotational
    states and preferential population of K-
    doublets of HCO
%A  Shih-Huang Lee and I-Chia Chen

%T  Fast evaluation of electron intracule and
    extracule densities on large grids of points
%A  Jerzy Cioslowski and Guanghua Liu

%T  Theoretical calculation of the electroabsorption
    spectra of polyacene crystals
%A  Piotr Petelenz, Michal Slawik, Kohei Yokoi,
    and Marek Z. Zgierski

%T  Product rotational polarization in photon-initiated
    bimolecular reactions
%A  F.J. Aoiz, M. Brouard, and P.A. Enriquez

%T  Intermolecular state dependence of the vibrational
    predissociation of N{_2}HF
%A  Susy N. Tsang, Cheng-Chi Chuang,
    Reza Mollaaghababa, William Klemperer,
    and Huan C. Chang

%T  Theoretical study of the trans-stilbene
    isomerization reaction in ethane
%A  Gidon Gershinsky and Eli Pollak

%T  Reorientational dynamics of an electric dipole
    in fluctuating electric fields
%A  Kazuhiko Seki

%T  Ab initio pair potential parameter set for the
    interaction of a rigid and a flexible water
    models and the complete series of the halides
    and alkali cations
%A  Gergely Toth

%T  Lattice models for dipolar adsorption at metal/
    electrolyte interfaces using Bethe approximation
%A  R. Saradha and M.V. Sangaranarayanan

%T  NMR field-cycling proton relaxation study of
    polymer dispersed liquid crystals
%A  D. Schwarze-Haller, F. Noack, M. Vilfan, and
    G.P. Crawford

%T  Acceptor bound hole states in solid xenon
%A  H.H. von Grunberg and H. Gabriel

%T  Spinodal decomposition of colloids in the initial
    and intermediate stage
%A  Jan K.G. Dhont

%T  Reference hypernetted chain theory for linear
    molecular fluids.  A comprehensive study of
    gas-liquid coexistence
%A  J.A. Anta, E. Lomba, M. Lombardero, and
    C. Martin

%T  Dynamics of a suspension of spheres and rigid
    polymers.  Effect of geometrical mismatch
%A  Radu P. Mondescu and M. Muthukumar

%T  Molecular dynamics simulations of the effects of
    truncation of the Taylor expansion of the poten-
    tial energy on the thermodynamic properties of a
    crystal
%A  Daniel J. Lacks and Ramesh C. Shukla

%T  Taylor dispersion of particles in stratified media
    with random transition rates
%A  Gerardo Soto-Campos and Robert M. Mazo

%T  Effect of the attractive interactions on the
    phase behaviour of the Gay-Berne liquid
    crystal model
%A  Enrique de Miguel, Elvira Martin del Rio,
    Julian T. Brown, and Michael P. Allen

%T  Comment on:  Fluid wetting on molecularly rough
    surfaces
    [103, 8201 (1995)]
%A  M.J.P. Nijmeijer and C. Bruin

%T  Reply to Comment on:  Fluid wetting on molecular
    rough surfaces
%A  Jonathan G. Harris

%T  Polarizable point charge model for water.  Results
    under normal and extreme conditions
%A  Igor M. Svishchev, Peter G. Kusalik,
    Jian Wang, and Russel J. Boyd

%T  Solvation effects on a model S{_N}2 reaction in
    water clusters
%A  Mario Re and Daniel Laria

%T  Second virial coefficients, critical temperatures
    and the molecular shapes of long n-alkanes
%A  Carlos Vega and Antonio Lopez Rodriguez

%T  Molecular dynamics simulations of a fully
    hydrated dipalmitoylphosphatidylcholine
    bilayer with different macroscopic boundary
    conditions and parameters
%A  D.P. Tieleman and H.J.C. Berendsen

%T  Representing molecular shape and interactions.
    A reduced intermolecular potential for copper
    phthalocyanine
%A  Da-Jiang Liu, Robin L. Blumberg Selinger,
    and John D. Weeks

%T  Microscopic view of glass transition dynamics.
    A quasielastic neutron scattering study on
    trans-1,4-polychloroprene
%A  T. Kanaya, T. Kawaguchi, and K. Kaji

%T  Simple relationships between statistical mechanics
    expectation values
%A  Esam Z. Hamad

%T  Ab initio cluster model calculations on the
    boson peak frequencies of B{_2}O{_3} glass
%A  Takashi Uchino and Toshinobu Yoko

%T  Polarized hyper-Rayleigh light scattering measure-
    ments of nonlinear optical chromophores
%A  Philip Kaatz and David P. Shelton

%T  Structural relaxation in viscous glycerol.
    Coherent neutron scattering
%A  J. Wuttke, W. Petry, and S. Pouget

%T  Thermally activated escape processes in a double
    well coupled to a slow harmonic mode
%A  Alexander N. Drozdov and Peter Talkner

%T  Unified time-path approach to the effect of anhar-
    monicity on the molecular vibrational spectroscopy
    in solution
%A  K. Okumura and Y. Tanimura

%T  pH and salt concentration dependence of the micro-
    structure of poly(N-isopropylacrylamide-co-acrylic
    acid) gels
%A  Mitsuhiro Shibayama, Fumiyoshi Ikkai,
    Satoshi Inamoto, Shunji Nomura, and
    Charles C. Han

%T  Instabilities of polyampholytes in external
    electrical fields
%A  H. Schiessel and A. Blumen

%T  Segmental concentration profiles of end-tethered
    polymers with excluded-volume and surface inter-
    actions
%A  Maria Adamuti-Trache, William E. McMullen,
    and Jack F. Douglas

%T  Susceptibilities of liquid-vapor interface of
    simple liquids
%A  J. Stecki and S. Toxvaerd