The Journal of Chemical Physics, 2000, March 15, V 112, N 11.

TE Convergent summation of Moller-Plesset perturbation theory
AU David Z.Goodson
PP 4901-4909

TE Approximate calculation of femtosecond pump-probe spectra
monitoring nonadiabatic excited-state dynamics
AU Stefan Dilthey, Susanne Hahn, and Gerhard Stock
PP 4910-4922

TE Critical points and reaction paths characterization on a
potential energy hypersurface
AU Marie-Noeelle Ramquet, Georges Dive, and Dominique Dehareng
PP 4923-4934

TE Are properties derived from variance-optimized wave functions
generally more accurate? Monte Carlo study of non-energy-related
properties of H_{2}, He, and LiH
AU Martin Snajdr and Stuart M.Rothstein
PP 4935-4941


GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR
INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY

TE Infrared spectroscopy of ArOH: A direct probe of the Ar+OHn n
X^{2}Pi potential energy surface
AU R.Timothy Bonn, Martyn D.Wheeler, and Marsha I.Lester
PP 4942-4951

TE Ab initio potential energy surface for the Ar(^{1}S)+OH(X^{2}Pi)
interaction and bound rovibrational states
AU Jacek Klos, Grzegorz Chalasinski, Mary T.Berry, Rick A.Kendall,
Rudolf Burcl, M.M.Szczesniak, and Slawomir M.Cybulski
PP 4952-4958

TE A selected ion flow tube study of the reactions of small
C_{m}H_{n}^{+} ions with O atoms
AU Graham B.I.Scott, Daniel B.Milligan, David A.Fairley,
Colin G.Freeman, and Murray J.McEwan
PP 4959-4965

TE Negative ion photoelectron spectroscopy of OH^{-}(NH_{3})
AU Rebecca L.Schwartz, Gustavo E.Davico, Joseph B.Kim,
and W.Carl Lineberger
PP 4966-4973

TE Photodissociation spectroscopy of the Ca^{+}-Ne complex
AU J.E.Reddic, S.H.Pullins, and M.A.Duncan
PP 4974-4982

TE An energy-resolved study of the partial fragmentation dynamics
of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
AU J.C.Juanes-Marcos and A.Garcia-Vela
PP 4983-4993

TE Crossed beam reaction of phenyl radicals with unsaturated
hydrocarbon molecules. I. Chemical dynamics of
phenylmethylacetylene (C_{6}H_{5}CCCH_{3};X ^{1}A') formation
from reaction of C_{6}H_{5}(X ^{2}A_{1}) with methylacetylene,
CH_{3}CCH(X ^{1}A_{1})
AU R.I.Kaiser, O.Asvany, Y.T.Lee, H.F.Bettinger, P.v.R.Schleyer,
and H.F.Schaefer III
PP 4994-5001

TE Coupling between the internal rotation of the methyl group and
proton/deuteron transfer in jet-cooled
5-methyl-9-hydroxyphenalenone(OH) and
5-methyl-9-hydroxyphenalenone(OD): Tunneling rate dependence of
coupling potential
AU Kaori Nishi, Hiroshi Sekiya, Tomoyuki Mochida, Tadashi Sugawara,
and Yukio Nishimura
PP 5002-5011

TE Anisotropic Coulomb explosion of C_{60} irradiated with a
high-intensity femtosecond laser pulse
AU Junkei Kou, Vasilii Zhakhovskii, Shuji Sakabe,
Katsunobu Nishihara, Seiji Shimizu, Sakae Kawato,
Masaki Hashida, Keisuke Shimizu, Sergei Bulanov, Yasukazu Izawa,
Yoshiaki Kato, and Nobuaki Nakashima
PP 5012-5020

TE Theoretical description of the nonlinear response functions
associated with eight distinctive three-dimensional vibrational
spectroscopies
AU Kisam Park and Minhaeng Cho
PP 5021-5036

TE Experimental and theoretical study of the electronic spectrum of
the BAr_{2} complex: Transition to the excited valence
B(2s2p^{2} ^{2}D) state
AU Jennifer R.Krumrine, Millard H.Alexander, Xin Yang,
and Paul J.Dagdigian
PP 5037-5043

TE An accurate semiclassical calculation of collision-induced
dissociation
AU Kazuhiro Sakimoto
PP 5044-5053

TE Quantum dynamics of photoexcited cyclohexadiene introducing
reactive coordinates
AU Angelika Hofmann and Regina de Vivie-Riedle
PP 5054-5059

TE Studying vibrational wavepacket dynamics by measuring
fluorescence interference fluctuations
AU Ch.Warmuth, A.Tortschanoff, F.Milota, M.Shapiro, Y.Prior,
I.Sh.Averbukh, W.Schleich, W.Jakubetz, and H.F.Kauffmann
PP 5060-5069

TE Vibrations of the carbon dioxide dimer
AU Hua Chen and J.C.Light
PP 5070-5080

TE Driving wave packet recurrences with optimally modulated laser
pulses
AU Boyd M.Goodson, Debabrata Goswami, Herschel Rabitz,
and Warren S.Warren
PP 5081-5090


CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS:
SPECTROSCOPY, REACTIONS, AND RELAXATION


TE Equivalence between the "classical" and the "Warren" approaches
for the effects of long range dipolar couplings in liquid
nuclear magnetic resonance
AU J.Jeener
PP 5091-5094

TE Demonstration of quantum logic gates in liquid crystal nuclear
magnetic resonance
AU Malgorzata Marjanska, Isaac L.Chuang, and Mark G.Kubinec
PP 5095-5099

TE Critical localization of confined phonons in finite size
admonolayers
AU V.Pouthier and C.Girardet
PP 5100-5104

TE Analysis of the intramolecular charge transfer in donor-acceptor
alpha,alpha'-substituted oligothiophenes from their vibrational
spectra
AU V.Hernandez, J.Casado, F.Effenberger, and J.T.Lopez Navarrete
PP 5105-5112

TE Fourier transform infrared isotopic study of the C_{12} chain
trapped in solid Ar
AU X.D.Ding, S.L.Wang, C.M.L.Rittby, and W.R.M.Graham
PP 5113-5120

TE Line of triple points for the hard-core Yukawa model: A computer
simulation study
AU Fouad El Azhar, Marc Baus, Jean-Paul Ryckaert,
and Evert Jan Meijer
PP 5121-5126

TE Vibrational dynamics of hydrogen-bonded HCl-diethyl ether
complexes
AU I.A.M.E.Giebels, M.A.F.H.van den Broek, M.F.Kropman,
and H.J.Bakker
PP 5127-5132

SURFACES, INTERFACES, AND MATERIALS


TE Structures and stability of CO layers on the MgO(001) surface
AU A.K.Sallabi and D.B.Jack
PP 5133-5143

TE An energy-based mapping method for identifying the in-plane
orientations of polypeptides and other macromolecules at
crystalline interfaces
AU Yaohua Dai and John Spencer Evans
PP 5144-5157

TE Accurate ab initio determination of magnetic interactions and
hopping integrals in La_{2-x}Sr_{x}CuO_{4} systems
AU Carmen J.Calzado, Javier F.Sanz, and Jean Paul Malrieu
PP 5158-5167

TE Computer simulation studies of a square-well fluid in a slit
pore. Spreading pressure and vapor-liquid phase equilibria using
the virtual-parameter-variation method
AU Horst L.Voertler and William R.Smith
PP 5168-5174

TE Geometry dependent critical exponents at complete wetting
AU C.Rascon and A.O.Parry
PP 5175-5180

TE Analysis of the susceptibility minimum observed in
0.4Ca(NO_{3})_{2}-0.6KNO_{3} by dielectric spectroscopy and
light scattering
AU R.Casalini, K.L.Ngai, and C.M.Roland
PP 5181-5189

TE Fluorine atom abstraction by Si(100) II. Model
AU M.R.Tate, D.P.Pullman, Y.L.Li, D.Gosalvez-Blanco, A.A.Tsekouras,
and S.T.Ceyer
PP 5190-5204


POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS


TE Effect of H-bond active sites on transport properties of
poly(ethylene oxide) dissolved in its monomers: Shear viscosity
and diffusion coefficient studies
AU V.Crupi, A.Faraone, G.Maisano, D.Majolino, P.Migliardo,
V.Venuti, and V.Villari
PP 5205-5211

TE Self-organization and mismatch tolerance in protein folding:
General theory and an application
AU Ariel Fernandez and R.Stephen Berry
PP 5212-5222

TE Coarsely resolved topography along protein folding pathways
AU Ariel Fernandez, Konstantin S.Kostov, and R.Stephen Berry
PP 5223-5229

TE The nonplanarity of the peptide group: Molecular dynamics
simulations with a polarizable two-state model for the peptide
bond
AU Steven W.Rick and R.E.Cachau
PP 5230-5241


LETTERS TO THE EDITOR


TE A new density functional approach to nonuniform Lennard-Jones
fluids
AU Shiqi Zhou and Eli Ruckenstein
PP 5242-5243