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