Journal of Chemical Physics, 1998, V 109, N 1, 1 July.
TE Vibrational structure in the carbon 1s ionization of hydrocarbons.
Calculation using electronic structure theory and the
equivalent-cores approximation
AU T.Darrah Thomas, Leif J.Saethre, Stacey L.Sorensen,
and Svante Svensson
TE Single crystal Raman spectra of 1,2,4,5-tetra-bromobenzene.
Calculational and experimental assignment of the internal modes
AU K.M.White and C.J.Eckhardt
TE An effective method for the quantum mechanical description of
photoionization with ultrashort intense laser pulses
AU Christoph Meier, Volker Engel, and Uwe Manthe
TE From molecular clusters to bulk matter. I. Structure and
thermodynamics of small CO{_2}, N{_2} and SF{_6} clusters
AU Jean-Bernard Maillet, Anne Boutin, Severine Buttefey,
Florent Calvo, and Alain H.Fuchs
TE Disorder-induced exciton scattering in the light-harvesting systems
of purple bacteria. Influence on the anisotropy of emission and
band --> band transitions
AU Ranjit Kumble and Robin M.Hochstrasser
TE Density functional study of the NO dimer using
GGA and LAP functionals
AU H.A.Duarte, E.Proynov, and D.R.Salahub
TE Measurement of mass diffusion coefficients using
nonexponential forced Rayleigh scattering signals
AU D.R.Spiegel, A.H.Marshall, N.T.Jukam, H.S.Park, and T.Chang
TE Freezing of NO gateway emission by a magnetic field and very long
field-free lifetimes of perturbed NO(a{^4}{ZETA})levels
AU Y.Mo, Ch.Ottinger, and G.Shen
TE Competition between radiation and photofragmentation in the
A{^~}{^2}{1/2}{^+} state of the SH/D rare gas complexes
AU Brian E.Applegate, Min-Chieh Yang, and Terry A.Miller
TE Theoretical investigations of the lifetime of SH and SD
(A{^~}{^2}{1/2}{^+}) in M{^...}SH/D (M=Ne, Ar, Kr) complexes
AU Anne B.McCoy
TE Comment on: Theory of rotational energy levels of
open-shell complexes containing the O{_2} molecule
[J.Chem.Phys.107, 7651 (1997)]
AU Wafaa M.Fawzy
TE Interaction of gaseous D atoms with CH{_3}I adsorbed
on Pt(111), H/Pt(111), and C/Pt(111) surfaces.
From hot-atom to Eley-Rideal phenomenology
AU S.Wehner and J.Kuppers
TE Observation of the 5{^1}{PI}{_u}, 6{^1}{SIGMA}{_u}{^+} and
7{^1}{SIGMA}{_u}{^+} states of Na{_2} through a Franck-Condon
window by all-optical triple resonance spectroscopy
AU Jing Li, Jianming Zhang, He Wang, J.T.Kim, and W.C.Stwalley
TE Pure bending dynamics in the acetylene X{^~}{^1}{SIGMA}{_g}{^+}
state up to 15,000 cm{^-1} of internal energy
AU Matthew P.Jacobson, Jonathan P.O'Brien, Robert J.Silbey,
and Robert W.Field
TE A CCSD(T) study of the He{^.}NO molecular complex
AU Edmond P.F.Lee and Timothy G.Wright
TE Dynamics of Rydberg states of nitric oxide probed by
two-color resonant four-wave mixing spectroscopy
AU E.F.McCormack, F.Di Teodoro, G.M.Grochocinski, and S.T.Pratt
TE On the adiabatic to diabatic states transformation in the presence
of a conical intersection. A most diabatic basis from the solution
to a Poisson's equation. I.
AU Rovshan G.Sadygov and David R.Yarkony
TE Inverse virial symmetry of diatomic potential curves
AU David R.Herrick and Sean O'Connor
TE Photoelectron spectroscopy, gas phase acidity, and thermochemistry
of tert-butyl hydropeeroxide. Mechanisms for the rearrangement of
peroxyl radicals
AU Ellen P.Clifford, Paul G.Wenthold, Roustam Gareyev,
W.Carl Lineberger, Charles H.DePuy, Veronica M.Bierbaum,
and G.Barney Ellison
TE Quantum rate constants for the H{_2} + OH reaction
with the centrifugal sudden approximation
AU Dong H Zhang, John C.Light, and Soo-Y.Lee
TE Photofragmentation spectra and structures of Sr{^+}Ar{_n}, n=2-8
clusters. Experiment and theory
AU G.S.Fanourgakis, S.C.Farantos, Ch.Luder, M.Velegrakis,
and S.S.Xantheas
TE Quantum mechanical calculation of resonance tunneling in
acetylene isomerization via the vinylidene intermediate
AU Timothy C.Germann and William H.Miller
TE Equivalence of the Kobrak-Rice photoselective adiabatic passage
and the Brumer-Shapiro strong field methods for control of
product formation in a reaction
AU Mark N.Kobrak and Stuart A.Rice
TE High level ab initio and density functional theory studies on
methanol-water dimers and cyclic methanol(water){_2} trimer
AU Leticia Gonzalez, Otilia Mo, and Manuel Yanez
TE Infrared spectra of cis and trans-(NO){_2}{^-} anions in solid argon
AU Lester Andrews, Mingfei Zhou, Stephen P.Wilson,
Gary P.Kushto, Anders Snis, and Itai Panas
TE Comment on: Generalization of the multiconfigurational
time-dependent Hartree method to non-adiabatic systems
[J.Chem.Phys.105, 9191 (1996)]
AU H.-D.Meyer, G.A.Worth, and J.-Y.Fang
TE Reply to Comment on: Generalization of the multiconfigurational
time-dependent Hartree method to non-adiabatic systems
AU Ken Museth and Gert Due Billing
TE Molecular dynamics study of the velocity cross-correlations
in liquids
AU A.Verdaguer, J.A.Padro, and J.Trullas
TE The thermal conductivity of an equimolar methane-ethane mixture
in the critical region
AU E.P.Sakonidou, H.R.van den Berg, C.A.ten Seldam, and J.V.Sengers
TE A modification of the generalized Born theory for
improved estimates of solvation energies and pK shifts
AU B.Jayaram, Y.Liu, and D.L.Beveridge
TE Analytical derivatives for geometry optimization
in solvation continuum models. I. Theory
AU E.Cances and B.Mennucci
TE Analytical derivatives for geometry optimization
in solvation continuum models. II. Numerical applications
AU E.Cances, B.Mennucci, and J.Tomasi
TE Solvation forces in thin films confined
between macroscopically curved substrates
AU Martin Schoen, Thomas Gruhn, and Dennis J.Diestler
TE Direct simulation of hydrodynamic relaxation in microchannels
AU Bruce J.Palmer
TE Calculation of solid-fluid phase equilibria for systems of
chain molecules
AU James M.Polson and Daan Frenkel
TE Dispersions of rod-like particles in shear flow by
Brownian dynamics simulations
AU A.C.Branka and D.M.Heyes
TE Erratum on: Computer simulations of vapor-liquid
phase equilibria of n-alkanes
[J.Chem.Phys.102, 2126 (1995)]
AU Berend Smit, Sami Karaborni, and J.Ilja Siepmann