Journal of Chemical Physics, 2000, V 113, N 16, 22 October.

TE A summation procedure that improves the accuracy of the
fourth-order Moller-Plesset perturbation theory
AU David Z.Goodson
PP 6461-6464

TE An experimental and computational study of the methyl 
formate
radical ultraviolet spectrum
AU Jaron C.Hansen, Yumin Li, Joseph S.Francisco, Joseph 
J.Szente,
and M.Matti Maricq
PP 6465-6468

 FOCUS ARTICLES


TE Quantum solvation and molecular rotations in superfluid helium
clusters
AU Yongkyung Kwon, Patrick Huang, Mehul V.Patel, Doerte Blume,
and K.Birgitta Whaley
PP 6469-6501


ARTICLES


TE Lattice and spin polarons in two dimensions
AU Y.Zhao, G.H.Chen, and L.Yu
PP 6502-6508

TE Excited states theory for optimized orbitals and valence
optimized orbitals coupled-cluster doubles models
AU Anna I.Krylov, C.David Sherrill, and Martin Head-Gordon
PP 6509-6527

TE Reactive scattering on multiple electronic surfaces: Collinear
A+BC-->AB+C reaction
AU Changkyun Shin and Seokmin Shin
PP 6528-6535

TE A test of the dependence of an optimal control field on the
number of molecular degrees of freedom: HCN isomerization
AU Suhail P.Shah and Stuart A.Rice
PP 6536-6541

TE Three novel high-resolution nonlinear methods for fast signal
processing
AU Dz.Belkic, P.A.Dando, J.Main, and H.S.Taylor
PP 6542-6556

TE Quantized Hamilton dynamics
AU Oleg V.Prezhdo and Yu.V.Pereverzev
PP 6557-6565

TE Geometry optimization of large biomolecules in redundant
internal coordinates
AU Bela Paizs, Jon Baker, Sandor Suhai, and Peter Pulay
PP 6566-6572

TE A method whereby Onsager coefficients may be evaluated
AU Janet A.W.Elliott, Heidi Y.Elmoazzen, and Locksley E.McGann
PP 6573-6578

TE Reactions of iron clusters with oxygen and ethylene: Observation
of particularly stable species
AU F.Huisken, B.Kohn, R.Alexandrescu, and I.Morjan
PP 6579-6584

TE Collision-induced bound state motion in I_{2}. A classical
molecular dynamics study
AU V.A.Ermoshin, V.Engel, and C.Meier
PP 6585-6591

TE Convergence testing of the analytic representation of an ab
initio dipole moment function for water: Improved fitting yields
improved intensities
AU David W.Schwenke and Harry Partridge
PP 6592-6597

TE Resonance-state selective photodissociation of OCS
(2 ^{1}Sigma^{+}): Rotational and vibrational distributions of
CO fragments
AU Ryuji Itakura, Akiyoshi Hishikawa, and Kaoru Yamanouchi
PP 6598-6607

TE Probing the lowest coordination number of dianionic
platinum-cyanide complexes in the gas phase: Dynamics of the
charge dissociation process
AU Gustav Bojesen, Preben Hvelplund, Thomas J.D.Jorgensen,
and Steen Brondsted Nielsen
PP 6608-6612

TE Structure and stability of Na_{6}Pb clusters
AU Young-Kyu Han and Kimihiko Hirao
PP 6613-6617

TE New millimeter wave and infrared spectra of the CO dimer:
Assignment and precise location of quantum states
AU Kaley A.Walker, Changhong Xia, and A.R.W.McKellar
PP 6618-6623

TE The Li_{2} F ^{1}Sigma_{g}^{+} "shelf" state: Accurate potential
energy curve based on the inverted perturbation approach
AU A.Pashov, W.Jastrzebski, and P.Kowalczyk
PP 6624-6628

TE Femtosecond polarization spectroscopy in molecular gas mixtures:
Macroscopic interference and concentration measurements
AU Edouard Hertz, Bruno Lavorel, Olivier Faucher, and Roland Chaux
PP 6629-6633

TE Angular distribution of ionic fragments in the dissociation of
SO_{2}^{2+}
AU Toshio Masuoka and Ataru Kobayashi
PP 6634-6639

TE A statistical approach for the study of singlet-triplet
interactions in small polyatomic molecules
AU Selen Altunata and Robert W.Field
PP 6640-6651

TE Aggregation of water molecules: Atmospheric implications
AU Glenn T.Evans and Veronica Vaida
PP 6652-6659

TE Photodissociation and recombination of F_{2} molecule in Ar_{54}
cluster: Nonadiabatic molecular dynamics simulations
AU M.Y.Niv, M.Bargheer, and R.B.Gerber
PP 6660-6672

TE Direct observation of the steric effect in Penning ionization
reaction of Ar^{*}+CHCl_{3}-->CHCl_{2}^{+}+Cl+e^{-}+Ar
AU Masanori Yamato, Seiki Okada, Victor Wei-Keh Wu,
Hiroshi Ohoyama, and Toshio Kasai
PP 6673-6676

TE Full configuration interaction benchmarking of coupled-cluster
models for the lowest singlet energy surfaces of N_{2}
AU Helena Larsen, Jeppe Olsen, Poul Jorgensen, and Ove Christiansen
PP 6677-6686

TE Water pair potential of near spectroscopic accuracy. I. Analysis
of potential surface and virial coefficients
AU Eric M.Mas, Robert Bukowski, Krzysztof Szalewicz,
Gerrit C.Groenenboom, Paul E.S.Wormer, and Ad van der Avoird
PP 6687-6701

TE Water pair potential of near spectroscopic accuracy. II.
Vibration-rotation-tunneling levels of the water dimer
AU G.C.Groenenboom, P.E.S.Wormer, A.van der Avoird, E.M.Mas,
R.Bukowski, and K.Szalewicz
PP 6702-6715

TE Theoretical evidence for a bound doubly-excited
^{1}B_{2}(C 1s,n-->pi^{*2}) state in H_{2}CO below the C 1s
ionization threshold
AU A.B.Trofimov, E.V.Gromov, T.E.Moskovskaya, and J.Schirmer
PP 6716-6723

TE Applications of a variational coupled-electron pair approach to
the calculation of intermolecular interaction in the framework
of the VB theory: Study of the van der Waals complex He-CH_{4}
AU Roberto Specchio, Antonino Famulari, Rocco Martinazzo,
and Mario Raimondi
PP 6724-6735

TE A theoretical approach to the O(^{1}D)+H_{2}O(X ^{1}A_{1})
reaction: Ab initio potential energy surface and quasiclassical
trajectory dynamics study
AU R.Sayos, Carolina Oliva, and Miguel Gonzalez
PP 6736-6747

TE Theoretical study of the dynamics, stereodynamics, and
microscopic mechanism of the O(^{1}D)+CH_{4}(X ^{1}A_{1})-->
OH(X ^{2}Pi)+CH_{3}(X ^{2}A_{2}") reaction
AU Miguel Gonzalez, Jordi Hernando, Maria P.Puyuelo, and R.Sayos
PP 6748-6759

TE Far-ultraviolet resonance Raman spectroscopy of nitrate ion in
solution
AU Mark R.Waterland and Anne Myers Kelley
PP 6760-6773

TE Homogeneous nucleation rates of n-pentanol in nitrogen measured
in a piston-expansion tube
AU A.Grasmann and F.Peters
PP 6774-6781

TE Induced-dipole contributions to the conductivity and dielectric
response of molten ZnCl_{2}
AU Angus Gray-Weale, Paul A.Madden, and Mark Wilson
PP 6782-6787

TE Reorientational disorder of anions in the hydrogen sulfides of
sodium and potassium (NaDS and KDS) investigated by neutron
diffraction between T=4 K and T=470 K
AU F.Haarmann, H.Jacobs, and W.Kockelmann
PP 6788-6794

TE Solid effect in the electron spin dressed state: A new approach
for dynamic nuclear polarization
AU V.Weis, M.Bennati, M.Rosay, and R.G.Griffin
PP 6795-6802

TE Infrared spectra of cesium chloride aqueous solutions
AU Jean-Joseph Max and Camille Chapados
PP 6803-6814

TE Structural and thermodynamic description of supercritical argon
with ab initio potentials
AU Jean-Marc Bomont, Jean-Louis Bretonnet, Till Pfleiderer,
and Helmut Bertagnolli
PP 6815-6821

TE Thermodynamics of heterogeneous multicomponent condensation on
mixed nuclei
AU Y.S.Djikaev and D.J.Donaldson
PP 6822-6830

TE Microscopic model of carbon monoxide binding to myoglobin
AU Benjamin H.McMahon, Branko P.Stojkovic, P.Jeffrey Hay,
Richard L.Martin, and Angel E.Garcia
PP 6831-6850

TE Simulated structure, dynamics, and vibrational spectra of liquid
benzene
AU Riccardo Chelli, Gianni Cardini, Piero Procacci,
Roberto Righini, Salvatore Califano, and Andreas Albrecht
PP 6851-6863

TE Potential-dependence of CO adlayer structures on Pt(111)
electrodes in acid solution: Evidence for a site selective
charge transfer
AU Walther Akemann, Kaspar Andreas Friedrich, and Ulrich Stimming
PP 6864-6874

TE Transport diffusion of argon in AlPO_{4}-5 from equilibrium
molecular dynamics simulations
AU J.P.Hoogenboom, H.L.Tepper, N.F.A.van der Vegt, and W.J.Briels
PP 6875-6881

TE Dynamics of ammonia decomposition on Ru(0001)
AU H.Mortensen, L.Diekhoener, A.Baurichter, E.Jensen, and A.C.Luntz
PP 6882-6887

TE Thermal conductivity of diamond and related materials from
molecular dynamics simulations
AU Jianwei Che, Tahir Cag"n, Weiqiao Deng, and William A.Goddard III
PP 6888-6900

TE A simple model for associative desorption and dissociative
chemisorption
AU A.C.Luntz
PP 6901-6905

TE Diffusion and reaction in rectangular arrays of spheroids
AU Shih-Yuan Lu
PP 6906-6915

TE Temperature dependence of atomic hydrogen-induced surface
processes on Ge(100): Thermal desorption, abstraction, and
collision-induced desorption
AU S.Shimokawa, A.Namiki, M.N.-Gamo, and T.Ando
PP 6916-6925

TE Energetics of hydrogen chemisorbed on Cu(110): A first
principles calculations study
AU ChinSung Bae, David L.Freeman, J.D.Doll, G.Kresse, and J.Hafner
PP 6926-6932

TE Molecular simulation study of water-methanol mixtures in
activated carbon pores
AU Abhijit V.Shevade, Shaoyi Jiang, and Keith E.Gubbins
PP 6933-6942

TE A four-site model for elongated liquid crystal molecules
AU J.C.Lee
PP 6943-6949

TE The writhe distribution in DNA plasmids as derived from the free
energy of supercoiling
AU Irwin Tobias
PP 6950-6956

TE The temperature and polymerization effects on the relaxation
time and conductivity, and the evolution of the localized motions
AU E.Tombari, G.Salvetti, and G.P.Johari
PP 6957-6965

TE The coil-globule transition for a polymer chain confined in a
tube: A Monte Carlo simulation
AU P.Sotta, A.Lesne, and J.M.Victor
PP 6966-6973

TE An extended Maxwell-Wagner theory for the electric birefringence
of charged colloids
AU D.A.Saville, T.Bellini, V.Degiorgio, and F.Mantegazza
PP 6974-6983

TE Electrokinetic properties of colloids of variable charge. III.
Observation of a Maxwell-Wagner relaxation mechanism by
high-frequency electric-birefringence spectroscopy
AU F.Mantegazza, T.Bellini, M.Buscaglia, V.Degiorgio,
and D.A.Saville
PP 6984-6991

TE Dynamical Monte Carlo study of equilibrium polymers. II. The
role of rings
AU J.P.Wittmer, P.van der Schoot, A.Milchev, and J.L.Barrat
PP 6992-7005

TE Phase behavior of polymer containing colloidal dispersions: The
integral equation theory
AU Nadezhda P.Shusharina, Pavel G.Khalatur, and Alexei R.Khokhlov
PP 7006-7012

TE A density-functional approach to nucleation in micellar solutions
AU V.Talanquer and D.W.Oxtoby
PP 7013-7021