The Journal of Chemical Physics, 2001, V 115, N 8, August 22.

TE Interactions between passivated nanoparticles in 
solutions: Beyond the continuum model
AU Eran Rabani and S.A.Egorov
PP 3437-3440

TE An energy functional for surfaces
AU Ann E.Mattsson and Walter Kohn
PP 3441-3443

TE Resonant Raman scattering by breathing modes of metal nanoparticles
AU H.Portales, L.Saviot, E.Duval, M.Fujii, S.Hayashi, N.Del Fatti, and F.Vallee
PP 3444-3447

ARTICLES

TE The convergence of spin-orbit configuration interaction
calculations for TlH and (113)H
AU Yoon Jeong Choi, Young-Ku Han, and Yoon Sup Lee
PP 3448-3453

TE Electronic properties of hard and soft ions in solution: Aqueous
Na^{+} and Ag^{+} compared
AU Rodolphe Vuilleumier and Michiel Sprik
PP 3454-3468

TE The influence of the detachment of electrons on the properties
and the nature of interactions in X^{-}H_{2}O (X=Cl, Br)complexes
AU Szczepan Roszak, Marek Kowal, Robert W.Gora, and Jerzy Leszczynski
PP 3469-3473

TE On the correlation energy features in planar heteroatomic
molecular systems
AU David M.Smith, Danijela Baric, and Zvonimir B.Maksic
PP 3474-3483

TE Extended benchmark studies of coupled cluster theory through
triple excitations
AU David Feller and David A.Dixon
PP 3484-3496

TE Electronic energy density in chemical reaction systems
AU Akitomo Tachibana
PP 3497-3518

TE Exchange energy density of an atom as a functional of the
electron density
AU Jianmin Tao
PP 3519-3530

TE A dual length scale method for plane-wave-based, simulation studies of 
chemical systems modeled using mixed ab initio/empirical force field 
descriptions
AU Dawn A.Yarne, Mark E.Tuckerman, and Glenn J.Martyna
PP 3531-3539

TE A long-range correction scheme for generalized-gradient-approximation 
exchange functionals
AU Hisayoshi Iikura, Takao Tsuneda, Takeshi Yanai, and Kimihiko Hirao
PP 3540-3544

TE CC3 triplet excitation energies using an explicit spin coupled
excitation space
AU Kasper Hald, Christof Haettig, Jeppe Olsen, and Poul Jorgensen
PP 3545-3552

TE Basis set superposition error free self-consistent field method
for molecular interaction in multi-component systems: Projection
operator formalism
AU Takeshi Nagata, Osamu Takahashi, Ko Saito, and Suehiro Iwata
PP 3553-3560

TE Relativistic Gaussian basis sets for molecular calculations: H-Xe
AU Toshikatsu Koga, Hiroshi Tatewaki, and Osamu Matsuoka
PP 3561-3565

TE Resonant and nonresonant electron impact detachment of CN^{-} and BO^{-}
AU L.H.Andersen, J.Bak, S.Boye, M.Clausen, M.Hovgaard, M.J.Jensen,
A.Lapierre, and K.Seiersen
PP 3566-3570

TE Isotopic probing of weak intermolecular forces: Infrared
spectrum and energy levels of the ^{13}C^{16}O dimer
AU A.R.W.McKellar
PP 3571-3577

TE Characterization of Ar_{n}Cl^{(-)} clusters (n=2-15) using zero
electron kinetic energy and partially discriminated threshold
photodetachment spectroscopy
AU Thomas Lenzer, Ivan Yourshaw, Michael R.Furlanetto,
Nicholas L.Pivonka, and Daniel M.Neumark
PP 3578-3589

TE Coherent control of quantum chaotic diffusion: Diatomic
molecules in a pulsed microwave field
AU Jiangbin Gong and Paul Brumer
PP 3590-3597

TE Concentration measurements in molecular gas mixtures with a
two-pump pulse femtosecond polarization spectroscopy technique
AU E.Hertz, R.Chaux, O.Faucher, and B.Lavorel
PP 3598-3603

TE Ab initio prediction of the vibration-rotation-tunneling
spectrum of HCl-(H_{2}O)_{2}
AU P.E.S.Wormer, G.C.Groenenboom, and A.van der Avoird
PP 3604-3613

TE Femtosecond dissociation of ozone studied by the Auger Doppler effect
AU L.Rosenqvist, K.Wiesner, A.Naves de Brito, M.Baessler, R.Feifel,
I.Hjelte, C.Miron, H.Wang, M.N.Piancastelli, S.Svensson,
O.Bjoerneholm, and S.L.Sorensen
PP 3614-3620

TE Theoretical studies of the HO+O<==>HO_{2}<==>H+O_{2} reaction.
II. Classical trajectory calculations on an ab initio potential
for temperatures between 300 and 5000 K
AU J.Troe and V.G.Ushakov
PP 3621-3628

TE Effects of pressure and temperature on the reactions of niobium
cluster cations with hydrogen and deuterium
AU Andrei B.Vakhtin and Ko-ichi Sugawara
PP 3629-3639

TE Strontium clusters: Many-body potential, energetics, and
structural transitions
AU Guan Ming Wang, Estela Blaisten-Barojas, A.E.Roitberg, and T.P.Martin
PP 3640-3646

TE The hyperfine structure of the 1 ^{3}Delta_{g} state of Na_{2}
AU Y.Liu, B.Ji, A.S.-C.Cheung, W.C.Stwalley, R.W.Field, A.M.Lyyra, and Li Li
PP 3647-3656

TE Photoelectron spectroscopy of gold-silver binary cluster anions
(Au_{n}Ag_{m}^{-}; 2 < n+m <4)
AU Yuichi Negishi, Yoshiaki Nakamura, Atsushi Nakajima, and Koji Kaya
PP 3657-3663

TE The potential energy surface and vibrational structure of C_{3}H^{-}
AU Nicholas M.Lakin, Majdi Hochlaf, Gilberte Chambaud, and Pavel Rosmus
PP 3664-3672

TE The study of conical intersections between consecutive pairs of
the five lowest ^{2}A' states of the C_{2}H molecule
AU A.M.Mebel, A.Yahalom, R.Englman, and M.Baer
PP 3673-3689

TE Tunneling electron loss from isolated platinum tetrahalide dianions
AU Martine N.Blom, Oliver Hampe, Stefan Gilb, Patrick Weis, and Manfred M.Kappes
PP 3690-3697

TE Characterizing conformers and torsional potentials of
nitrosoformaldehyde and N-nitrosomethanimine
AU J.C.Sancho-Garcia, A.J.Perez-Jimenez, J.M.Perez-Jorda, and F.Moscardo
PP 3698-3705

TE Ab initio global potential, dipole, adiabatic, and relativistic
correction surfaces for the HCN-HNC system
AU Tanja van Mourik, Gregory J.Harris, Oleg L.Polyansky,
Jonathan Tennyson, Attila G.Csaszar, and Peter J.Knowles
PP 3706-3718

TE The application of a vacuum ultraviolet Fourier transform
spectrometer and synchrotron radiation source to measurements of
the III epsilon(1,0) band of NO
AU J.Rufus, K.Yoshino, J.R.Esmond, A.P.Thorne, J.E.Murray, T.Imajo,
K.Ito, and T.Matsui
PP 3719-3723

TE Free energy of solvation for the reference interaction site
model: Critical comparison of expressions
AU Seiichiro Ten-no
PP 3724-3731

TE Molecular dynamics simulations of aqueous NaCl and KCl
solutions: Effects of ion concentration on the single-particle,
pair, and collective dynamical properties of ions and water molecules
AU Snehasis Chowdhuri and Amalendu Chandra
PP 3732-3741

TE High pressure crystal phases of benzene probed by infrared spectroscopy
AU Lucia Ciabini, Mario Santoro, Roberto Bini, and Vincenzo Schettino
PP 3742-3749

TE Thermodynamic and structural properties of liquid water around
the temperature of maximum density in a wide range of pressures:
A computer simulation study with a polarizable potential model
AU Pal Jedlovszky and Renzo Vallauri
PP 3750-3762

TE Adsorption of HgCl_{2} molecules on Au(111) surfaces studied by
scanning tunneling microscopy
AU A.Laakso, J.Lahtinen, M.Levlin, and P.Hautojaervi
PP 3763-3768

TE Raman activation in disordered graphites of the A_{1}' symmetry
forbidden k[not-equal]0 phonon: The origin of the D line
AU C.Castiglioni, F.Negri, M.Rigolio, and G.Zerbi
PP 3769-3778

TE Spinodal decomposition of a binary fluid with fixed impurities
AU Feng Qiu, Gongwen Peng, Valeriy V.Ginzburg, Anna C.Balazs,
Hsuan-Yi Chen, and David Jasnow
PP 3779-3784

TE Dynamics of probe particles during sol-gel transition of
PBLG-DMF solution and the resulting gel structure
AU Hidetoshi Oikawa and Hachiro Nakanishi
PP 3785-3791

TE Heterogeneous solvation: An ab initio approach
AU Solvejg Jorgensen, Mark A.Ratner, and Kurt V.Mikkelsen
PP 3792-3803

TE Molecular dynamics and microstructure development during cold
crystallization in poly(ether-ether-ketone) as revealed by real
time dielectric and x-ray methods
AU A.Nogales, T.A.Ezquerra, Z.Denchev, I.Sics, F.J.Balta Calleja,
and Benjamin S.Hsiao
PP 3804-3813

TE Nonplanar adsorption and orientational ordering of porphyrin
molecules on Au(111)
AU Takashi Yokoyama, Shiyoshi Yokoyama, Toshiya Kamikado, and Shinro Mashiko
PP 3814-3818

TE Influence of hydrostatic pressure on the Jahn-Teller effect in
the ^{4}T_{2g} excited state of CrCl_{6}^{3-} doped Cs_{2}NaScCl_{6}
AU Oliver S.Wenger, Rafael Valiente, and Hans U.Guedel
PP 3819-3826

TE Rate of diffusion-limited reactions in a cluster of spherical sinks
AU Heng-Kwong Tsao, Shin-Yuan Lu, and Chin-Yao Tseng
PP 3827-3833

TE Microwave modulation of exciton emission in molecular controlled
semiconductor resistor
AU Rachel Havdala, Lidia Langof, Efrat Lifshitz, and Ron Naaman
PP 3834-3839

TE Theory of rubber friction and contact mechanics
AU B.N.J.Persson
PP 3840-3861

TE Surface tension at the vapor/liquid interface in an attractive
hard-core Yukawa fluid
AU Minerva Gonzalez-Melchor, Andrij Trokhymchuk, and Jose Alejandre
PP 3862-3872

TE Interaction between hydrophobic surfaces with metastable
intervening liquid
AU D.Bratko, R.A.Curtis, H.W.Blanch, and J.M.Prausnitz
PP 3873-3877

TE Fluid flow in nanopores: An examination of hydrodynamic boundary
conditions
AU V.P.Sokhan, D.Nicholson, and N.Quirke
PP 3878-3887

TE Energy dissipation and scattering angle distribution analysis of
the classical trajectory calculations of methane scattering from
a Ni(111) surface
AU Robin Milot, A.W.Kleyn, and A.P.J.Jansen
PP 3888-3894

TE Equilibrium polymerization of cyclic carbonate oligomers
AU P.Ballone and R.O.Jones
PP 3895-3905

TE Thermodynamic properties and phase equilibria of branched chain
fluids using first- and second-order Wertheim's thermodynamic
perturbation theory
AU Felipe J.Blas and Lourdes F.Vega
PP 3906-3915

TE Molecular dynamics simulation of the linear low-density
polyethylene crystallization
AU Xiu-bin Zhang, Ze-sheng Li, Zhong-yuan Lu, and Chia-chung Sun
PP 3916-3922

TE Gaussian random fields with two level-cuts-Model for asymmetric
microemulsions with nonzero spontaneous curvature?
AU Lise Arleth, Stjepan Marcelja, and Thomas Zemb
PP 3923-3936

TE Detailed atomistic molecular-dynamics simulation of the
orthorhombic phase of crystalline polyethylene and alkane crystals
AU Ioanna-Elisavet Mavrantza, Dimitris Prentzas,
Vlasis G.Mavrantzas, and Costas Galiotis
PP 3937-3950

TE Monte Carlo simulation on thermodynamic properties of a
heteropolymer chain
AU Yuanyuan Wang, Hanning Chen, and Haojun Liang
PP 3951-3956

TE Simulation of polyethylene oxide: Improved structure using
better models for hydrogen and flexible walls
AU J.W.Halley, Yuhua Duan, B.Nielsen, Paul C.Redfern, and Larry A.Curtiss
PP 3957-3966

LETTERS TO THE EDITOR

TE Erratum: "Perturbative corrections to coupled-cluster and equation-of-motion 
coupled-cluster energies: A determinantal analysis" [J. Chem. Phys., v.114, 3919 
(2001)]
AU So Hirata, Marcel Nooijen, Ireneusz Grabowski, and Rodney J.Bartlett
PP 3967-3968

TE Erratum: "Controlling electron transfer in strong time-dependent
fields: Theory beyond the Golden Rule approximation" [J. Chem.
Phys., v.113, 11159 (2000)]
AU Ludwig Hartmann, Igor Goychuk, and Peter Haenggi
PP 3969