Journal of Chemical Physics 01 Sep 1997, V107, N9.


%T  All-electron Dirac-Fock-Roothaan calculations for the ThO molecule
%A  Yoshihiro Watanabe and Osamu Matusuoka

%T  Dynamics of quantum particles by path-integral centroid
    simulations.The symmetric Eckart barrier
%A  Rafael Ramirez

%T  Vibronic analysis of the ion-pair
    (EO{^+}) <-- ground state (XO{^+}) transition of BrCl
%A  P.Wang, S.S.Dimov, and R.H.Lipson

%T  Vibrational eigenvalues and eigenfunctions for planar acetylene by
    wavepacket propagation, and its mode-selective infrared excitation
%A  Li Liu and James T.Muckerman

%T  Study of the methanol trimer potential energy surface
%A  O.Mo, M.Yanez, and J.Elguero

%T  A theory for nonisothermal unimolecular reaction rates
%A  Eli Pollak, Peter Talkner, and Alexander M.Berezhkovskii

%T  Pump-probe spectroscopy of dissipative energy transfer dynamics
    in photosynthetic antenna complexes. A density matrix approach
%A  Oliver Kuhn and Villy Sundstrom

%T  The relevance of the Laplacian of intracule and extracule
    density distributions for analyzing electron-electron
    interactions in molecules
%A  Xavier Fradera, Miquel Duran, and Jordi Mestres

%T  Optimal pump-dump control. Linearization and symmetry relation
%A  YiJing Yan

%T  Solvation of the methoxy radical in small clusters
%A  J.A.Fernandez, J.Yao, and E.R.Bernstein

%T  On the formation and vibronic spectroscopy of {alpha}-halobenzyl
    radicals in a supersonic expansion
%A  Jianlong Yao and Elliot R.Bernstein

%T  Fragmentation analysis of size selected sodium clusters
%A  Ingolf V.Hertel, Claus Peter Schulz,
    Alexander Goerke, Hartmut Palm, and Gregor Leipelt

%T  Quantum-tunneling versus thermally activated
    electron transfer in Ohmic and non-Ohmic heat baths
%A  Jau Tang and Sheng Hsien Lin

%T  Calculations of the excitation energies of all-trans and
    11,12s-dicis retinals using localized molecular orbitals
    obtained by the elongation method
%A  Youji Kurihara, Yuriko Aoki, and Akira Imamura

%T  Photoelectron spectroscopy of C{_4}{^-}, C{_6}{^-}, and C{_8}{^-}
%A  Cangshan Xu, Gordon R.Burton, Travis R.Taylor, and Daniel M.Neumark

%T  Electron transfer via bridges
%A  M.Bixon and Joshua Jortner

%T  Subdoppler study of the {nu}{_3} = 2 state of SF{_6}
    by IR-IR double resonance with a sideband spectrometer
%A  M.Khelkhal, E.Rusinek, J.Legrand, F.Herlemont, and G.Pierre

%T  One- and two-pulsed field ionization spectra of NO.
    High-lying Rydberg states near ionization threshold
%A  Shin-ichiro Sato and Katsumi Kimura

%T  Automatic potential energy surface generation directly from
    ab initio calculations using Shepard interpolation. A test
    calculation for the H{_2} + H system
%A  Toshimasa Ishida and George C.Schatz

%T  Low-lying electronic states of lanthanocenes and
    actinocenes M(C{_8}H{_8}){_2} (M = Nd,Tb,Yb,U)
%A  Wenjian Liu, Michael Dolg, and Peter Fulde

%T  Four mathematical dimensional quantum mechanical study of
    tetra-atom systems. State-to-state J=0 probabilities for
    the H{_2} + OH --> H{_2}O + H reaction
%A  Henrik Szichman, Michael Baer, and Hiroki Nakamura

%T  Low energy electron total scattering cross section
    for the production of CO within condensed methanol
%A  M.Lepage, M.Michaud, and L.Sanche

%T  First-principles study of the structural and electronic
    properties of ethylene adsorption on Si(100)-(2x1) surface
%A  Wei Pan, Tianhai Zhu, and Weitao Yang

%T  Extended ensemble molecular dynamics method for constant
    strain rate uniaxial deformation of polymer systems
%A  Liu Yang, David J.Srolovitz, and Albert F.Yee

T  Comment on: Order of wetting transitions in polymer mixtures
    [J.Chem.Phys.106, 1257 (1997)]
%A  Gerald G.Pereira

%T  Theory of interaction between helical molecules
%A  A.A.Kornyshev and S.Leikin

%T  Comparison of experiments and modern theories of crystal nucleation
%A  Laszlo Granasy and Ferenc Igloi

%T  Adsorption of fluid vesicles
%A  A.Baumgaertner and Somendra M.Bhattacharjee

%T  High-accuracy discrete path-integral solutions for stochastic
    processes with noninvertible diffusion matrices.
    II. Numerical evaluation
%A  Alexander N.Drozdov

%T  Quantitative calculation of spontaneous polarization
    in ferroelectric liquid crystals
%A  Andreas F.Terzis, Demetri J.Photinos, and Edward T.Samulski

%T  Dynamics of polybutadienes with different microstructures.
    2. Dielectric response and comparisons with rheological behavior
%A  Reiner Zorn, Frederick I.Mopsik, Gregory B.McKenna, Lutz Willner,
    and Dieter Richter

%T  Monte Carlo simulation studies of electrolyte
    in mixture with a neutral component
%A  J.Rescic, V.Vlachy, L.B.Bhuiyan, and C.W.Outhwaite