Journal of Chemical Physics, 2000, V 113, N 3, 15 July.

TE Analysis of plastic deformation in atomic force microscopy:
Application to ice
AU Hans-Jurgen Butt, Astrid Doppenschmidt, Gritt Huttl,
Eberhard Muller, and Olga I.Vinogradova

TE The passage of small molecules through a water film supported by
MgO(100). Transfer times from molecular dynamics simulations
AU C.Toubin, P.N.M.Hoang, S.Picaud, and C.Girardet

TE Radiation enhanced diffusion of Ti in Al{_2}O{_3}
AU M.Weiss, M.Lu, P.van der Heide, S.M.Lee, E.Ada, H.S.Lee,
and J.W.Rabalais

TE Ultrahigh-vacuum instrumental study of AuCN monolayers on
Au(111) formed by electrochemical deposition
AU Taro Yamada, Rika Sekine, and Takahiro Sawaguchi

TE Intrinsic optical bistability of an ultrathin film consisting of
oriented linear aggregates
AU V.A.Malyshev, H.Glaeske, and K.-H.Feller

TE Polarized infrared study of on the structure of twodimensional
nanoclusters of partially fluorinated long-chain fatty acid
salts at ambient and elevated temperatures
AU Yanzhi Ren, Ken-ichi Iimura, and Teiji Kat

TE Surface self-diffusion of hydrogen on Cu(100): A quantum kinetic
equation approach
AU V.Pouthier and J.C.Light

TE Hindered diffusion of colloidal particles very near to a wall:
AU Michael A.Bevan and Dennis C.Prieve

TE Solvation effects in large binary van der Waals clusters with
high doping rates
AU Holger Vach

TE Extension of the Genkin and Mednis treatment for dynamic
polarizabilities and hyperpolarizabilities of infinite perodic
systems: I. Coupled perturbed Hartree-Fock theory
AU Bernard Kirtman, Feng Long Gu, and David M.Bishop

TE Simulation of heteropolymer collapse with an explicit solvent in
two dimensions
AU James M.Polson and Martin J.Zuckermann

TE Temperature dependent relaxation and recombination dynamics of
the hydrated electron
AU D.Madsen, C.L.Thomsen, J.Thogersen, and S.R.Keiding

TE A Feynman path centroid dynamics approach for the computation of
time correlation functions involving non-linear operators
AU David R.Reichman, Pierre-Nicholas Roy, Seogjoo Jang,
and Gregory A.Voth

TE On the convergence of global thermal properties of clusters
extracted from simulations
AU F.Calvo and C.Guet

TE A comprehensive light scattering study of the glass former
AU J.Wiedersich, N.Surovtsev, and E.Roessler

TE A combined discrete/continuum solvation model: Application to
AU Pradipta Bandyopadhyay and Mark S.Gordon

TE Hyper-parallel tempering Monte Carlo simulation of polymeric
AU Qiliang Yan and Juan Pablo

TE Pressure-induced volume phase transition of polyacrylamide gels
in acetone-water mixtures
AU Eiji Kato

TE Screening of a charged particle by multivalent counterions in
salty water: Strong charge inversion
AU T.T.Nguyen, A.Yu.Grosberg, and B.I.Shklovskii

TE Solution of the associative mean spherical approximation for a
multicomponent dimerizing hard-sphere multi-Yukawa fluid
AU Yu.V.Kalyuzhnyi, L.Blum, J.Rescic, and G.Stell

TE Periodic ab initio calculations of orthoboric acid
AU Peter Zapol, Larry A.Curtiss, and Ali Erdemir

TE Hydrogen bonding at the diatomics-in-molecules level: Water
AU Bella L.Grigorenko, Alexander V.Nemukhin, Igor A.Topol,
and Stanley K.Burt

TE Direct vibrational self-consistent field method: Applications to
H{_2}O and H{_2}CO
AU Kiyoshi Yagi, Tetsuya Taketsugu, Kimihiko Hirao,
and Mark S.Gordon

TE The vibrations of H{_2}O{_2}, studied by 'multimode', with a
large amplitude motion
AU Stuart Carter and Nicholas C.Handy

TE Nuclear spin-spin coupling constants from regular approximate
relativistic density functional calculations. I. Formalism and
scalar relativistic results for heavy metal compounds
AU Jochen Autschbach and Tom Ziegler

TE Theoretical study of the electronic structure of carbon dioxide:
Bending potential curves and generalized oscillator strengths
AU Robert J.Buenker, Michael Honigmann, Heinz-Peter Liebermann,
and Mineo Kimura

TE New propagators for quantum-classical molecular dynamics
AU Hong Jiang and Xin Sheng Zhao

TE A simplification of selective control using field optimized
initial state with application to HI and IBr photodissociation
AU K.Vandana and Manoj K.Mishra

TE Time-resolved photoelectron angular distributions as a probe of
intramolecular dynamics: Connecting the molecular frame and the
laboratory frame
AU Jonathan G.Underwood and Katharine L.Reid

TE Quantum reaction dynamics of 0({^3}P) + HCl on a new ab initio
potential energy surface
AU Katsuyuki Nobusada, Hiroki Nakamura, Yongjing Lin,
and B.Ramachandran

TE Complete reflection in two-state crossing and noncrossing
potential systems
AU Lukas Pichl, Hiroki Nakamura, and Jiri Horacek

TE Study of tin- and tin cluster-cyano complexes using anion
photoelectron spectroscopy and density functionals calculations
AU Vicki D.Moravec and Caroline Chick Jarrold

TE Photodissociation of cyclic HF complexes: Pentamer through
AU L.Oudejans and R.E.Miller

TE Angular resolved studies of the Lyman-{alpha} photodissociation
of HCN and DCN: New dynamical insights
AU Phillip A.Cook, Stephen R.Langford, Michael N.R.Ashfold,
and Richard N.Dixon

TE Multiple simultaneous distance determinations: Application of
REDOR NMR to IS{_2} spin networks
AU Oskar Liivak and David B.Zax

TE The effect of strain on the adsorption of CO on Pd(100)
AU M.W.Wu and H.Metiu

TE Normal modes of vibration of the C{_60} isotopomers
{^12}C{_59}{^13}C and {^12}C{_58}{^13}C{_2}
AU J.R.Soto, A.Calles, and J.L.Moran-Lopez

TE Hybrid quantum/classical study of ICN in an Ar matrix:
Photofragmentation and cage exit
AU S.Fernandez Alberti, J.Echave, V.Engel, N.Halberstadt,
and J.A.Beswick

TE Coherence transfer by single-transition crosspolarization:
Quantitation of cross-correlation effects in NMR
AU Fabien Ferrage, Thomas R.Eykyn, and Geoffrey Bodenhausen

TE Nonideal rotations in NMR: Upper bounds for coherence transfer
AU Alexej Jerschow

TE Collision induced fragmentation of small ionic sodium clusters:
II. Three-body fragmentation
AU M.Barat, J.C.Brenot, H.Dunet, J.A.Feyeton, and Y.J.Picard