Journal of Chemical Physics, 1997, V106, N19.15 May


%T  Validation of trajectory surface hopping methods against
    accurate quantum mechanical dynamics and semiclassical
    analysis of electronic-to-vibrational energy transfer
%A  Maria S.Topaler, Michael D.Hack, Thomas C.Allison, Yi-Ping Liu,
    Steven L.Mielke, David W.Schwenke, and Donald G.Truhlar

%T  Electronic states and nature of bonding in the
    molecule MoC by all electron ab initio calcualations
%A  Irene Shim and Karl A.Gingerich

%T  Long-range interaction of the {^39}K(4s) + {^39}K(4p) asymptote
    by photoassociative spectroscopy. I. The O{_g}{^-} pure
    long-range state and the long-range potential constants
%A  H.Wang, P.L.Gould, and W.C.Stwalley

%T  Molecular beam studies of sticking of oxygen on the Rh(111) surface
%A  Pascal Brault, Heiko Range, and J.Peter Toennies

%T  Theoretical study of vibrational overtone
    spectroscopy and dynamics of methanol
%A  Lauri Halonen

%T  Laser photofragmentation and collision-induced
    reactions of SiF{_2}{^2+} and SiF{_3}{^2+}
%A  Yin-Yu Lee, Stephen R.Leone, Philip Champkin,
    Nikolas Kaltsoyannis, and Stephen D.Price

%T  Theoretical study of the potential energy surfaces
    and dynamics of CaNC/CaCN
%A  Shinkoh Nanbu, Satoshi Minamino, and Mutsumi Aoyagi

%T  Spectroscopy of high n Rydberg states of the
    triatomic deuterium molecule D{_3}
%A  U.Muller, U.Majer, R.Reichle, and M.Braun

%T  Coupled cluster prediction of vibrational band
    intensities for SiF{_2} and PF{_2}{^+}
%A  Youngshang Pak, R.Claude Woods, and Kirk A.Peterson

%T  The rovibrational spectrum of hydroxylamine. A combined
    high resolution experimental and theoretical study
%A  D.Luckhaus

%T  Photodesorption of Na atoms from rough Na surfaces
%A  F.Balzer, R.Gerlach, J.R.Manson, and H.-G.Rubahn

%T  Model potentials for main group elements Li through Rn
%A  Yoshiko Sakai, Eisaku Miyoshi, Mariusz Klobukowski, and Sigeru Huzinaga

%T  Simulation of atomic zinc luminescence in rare gas
    solids. A localized pair potentials approach
%A  J.G.McCaffrey and P.N.Kerins

%T  Transitions to a new chiral phase in a Langmuir monolayer
%A  M.K.Durbin, A.Malik, A.G.Richter, R.Ghaskadvi, T.Gog, and P.Dutta

%T  Internal dynamics contributions to the CH stretching
    overtone spectra of gaseous nitromethane NO{_2}CH{_3}
%A  D.Cavagnat and L.Lespade

%T  Evidence for heavy atom large amplitude motions in
    RG-cyclopropane van der Waals complexes (RG=Ne,Ar,Kr)
    from rotation-tunneling spectroscopy
%A  Yunjie Xu and Wolfgang Jager

%T  Theoretical investigation of the potential energy surface
    for the NH{_2}+NO reaction via density functional theory
    and ab initio molecular electronic structure theory
%A  Eric W.-G.Diau and Sean C.Smith

%T  Femtosecond photoassociation. Coherence and
    implications for control in bimolecular reactions
%A  Peter Gross and Marcos Dantus

%T  Molecular dynamics study of water clusters, liquid and
    liquid/vapor interface of water with many-body potentials
%A  Liem X.Dang and Tsun-Mei Chang

%T  Matrix-theoretical analysis in the Laplace
    domain for the time lags and mean first
    passage times for reaction-diffusion transport
%A  Jenn-Shing Chen and Wen-Yih Chang

%T  Determination of adsorption equilibria in pores by
    molecular dynamics in a unit cell with imaginary gas phase
%A  Minoru Miyahara, Tomohisa Yoshioka, and Morio Okazaki

%T  Optimized cluster theory of structurally symmetric polymer blends
%A  J.Melenkevitz and J.G.Curro

%T  Diffusive motions in liquid 18-crown-6. A molecular dynamics study
%A  W.J.Briels and F.T.H.Leuwerink

%T  On the calculation of transport properties of
    polymer melts from nonequilibrium molecular dynamics
%A  Zhengfang Xu, Rajesh Khare, Juan J.de Pablo, and Sangtae Kim

%T  Droplet microemulsions at the emulsification boundary.
    The influence of the surfactant structure on
    the elastic constants of the amphiphilic film
%A  M.Gradzielski, D.Langevin, T.Sottmann, and R.Strey

%T  Orthorhombic phase of crystalline polyethylene. A Monte Carlo study
%A  R.Martonak, W.Paul, and K.Binder

%T  New statistical mechanical treatment of systems
    near surfaces. II. Polydisperse linear and
    branched polymers in an athermal solution
%A  Mukesh Chhajer and P.D.Gujrati

%T  The thermal diffusion factor of the van der Waals binary mixture
%A  Rolando Castillo and Jorge Orozco

%T  Effects of long-range electrostatic potential
    truncation on the free energy of ionic hydration
%A  Henry S.Ashbaugh and Robert H.Wood

%T  High pressure nucleation in water/nitrogen systems
%A  C.C.M.Luijten, K.J.Bosschaart, and M.E.H.van Dongen