The Journal of Chemical Physics, 2004, V 120, N 14, April 8.

	ARTICLES

Theoretical Methods and Algorithms

TE Kinetic theory and hydrodynamics of dense, reacting fluids far
   from equilibrium
AU James F.Lutsko
PP 6325-6345

TE Basis set and electron correlation effects on initial
   convergence for vibrational nonlinear optical properties of
   conjugated organic molecules
AU Miquel Torrent-Sucarrat, Miquel Sola, Miquel Duran,
   Josep M.Luis, and Bernard Kirtman
PP 6346-6355

TE Test of the quantum instanton approximation for thermal rate
   constants for some collinear reactions
AU Michele Ceotto and William H.Miller
PP 6356-6362

TE Synchronization of trajectories in canonical molecular-dynamics
   simulations: Observation, explanation, and exploitation
AU Blas P.Uberuaga, Marian Anghel, and Arthur F.Voter
PP 6363-6374

TE A local second-order Moller-Plesset method with localized
   orbitals: A parallelized efficient electron correlation method
AU Yoshihide Nakao and Kimihiko Hirao
PP 6375-6380

TE A constrained variational approach for energy derivatives in
   Fock-space multireference coupled-cluster theory
AU K.R.Shamasundar, Subashini Asokan, and Sourav Pal
PP 6381-6398

TE An electron in a finite-dipole potential
AU S.H.Patil
PP 6399-6407

TE Relativistic correlating basis sets for the sixth-period d-block
   atoms from Lu to Hg
AU You Osanai, Takeshi Noro, Eisaku Miyoshi, Masahiro Sekiya, and
   Toshikatsu Koga
PP 6408-6413

TE Improving the accuracy of interpolated potential energy surfaces
   by using an analytical zeroth-order potential function
AU Akio Kawano, Yin Guo, Donald L.Thompson, Albert F.Wagner, and
   Michael Minkoff
PP 6414-6422

TE Kolmogorov-Sinai entropy for the A+B-->P reaction in
   transitional flows
AU P.Rogberg and V.Cvetkovic
PP 6423-6429

Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry

TE Exit interaction effect on nascent product state distribution of
   O(^{1}D)+N_{2}O-->NO+NO
AU Shinnosuke Kawai, Yo Fujimura, Okitsugu Kajimoto, and
   Toshiyuki Takayanagi
PP 6430-6438

TE Sub-Doppler rotationally resolved spectroscopy of lower vibronic
   bands of benzene with Zeeman effects
AU Atsushi Doi, Shunji Kasahara, Hajime Kato, and Masaaki Baba
PP 6439-6448

TE A theoretical and experimental study of the SO_{2}^{2+} dication
AU M.Hochlaf and J.H.D.Eland
PP 6449-6460

TE Gas phase infrared spectroscopy of mono- and divanadium oxide
   cluster cations
AU Knut R.Asmis, Gerard Meijer, Mathias Bruemmer, Cristina Kaposta,
   Gabriele Santambrogio, Ludger Woeste, and Joachim Sauer
PP 6461-6470

TE Potential energy surface and rovibrational states of the ground
   Ar-HI complex
AU Rita Prosmiti, Sergio Lopez-Lopez, and Alberto Garcia-Vela
PP 6471-6477

TE An application of error reduction and harmonic inversion schemes
   to the semiclassical calculation of molecular vibrational energy
   levels
AU Sharif D.Kunikeev, Erdinc Atilgan, Howard S.Taylor,
   Alexey L.Kaledin, and Joerg Main
PP 6478-6486

TE Static dipole polarizability and binding energy of sodium
   clusters Na_{n} (n=1-10): A critical assessment of all-electron
   based post Hartree-Fock and density functional methods
AU K.R.S.Chandrakumar, Tapan K.Ghanty, and Swapan K.Ghosh
PP 6487-6494

TE Trans-1-chloro-2-fluoroethylene: Microwave spectra and
   anharmonic force field
AU Gabriele Cazzoli, Cristina Puzzarini, and Alberto Gambi
PP 6495-6501

TE Photodissociation of bromobenzene, dibromobenzene, and
   1,3,5-tribromobenzene
AU Ya-Jun Liu, Petter Persson, Hans O.Karlsson, Sten Lunell,
   Malin Kadi, Daniel Karlsson, and Jan Davidsson
PP 6502-6509

TE Interactions of Au cluster anions with oxygen
AU Qiang Sun, Puru Jena, Young Dok Kim, Matthias Fischer, and
   Gerd Gantefoer
PP 6510-6515

TE Topology of the distribution of zeros of the Husimi function in
   the LiNC/LiCN molecular system
AU F.J.Arranz, R.M.Benito, and F.Borondo
PP 6516-6523

TE Competitive C-H and O-D bond fission channels in the UV
   photodissociation of the deuterated hydroxymethyl radical
   CH_{2}OD
AU Lin Feng, Andrey V.Demyanenko, and Hanna Reisler
PP 6524-6530

TE High resolution photoabsorption and photofragment fluorescence
   spectroscopy of water between 10.9 and 12 eV
AU J.-H.Fillion, J.Ruiz, X.-F.Yang, M.Castillejo, F.Rostas, and
   J.-L.Lemaire
PP 6531-6541

TE Current density maps, magnetizability, and nuclear magnetic
   shielding tensors of bis-heteropentalenes. II. Furo-furan Isomers
AU I.Garcia Cuesta, R.Soriano Jartin, A.Sanchez de Meras, and
   P.Lazzeretti
PP 6542-6550

TE Observation of the 3 ^{3}Sigma^{+}-X ^{1}Sigma^{+} transition of
   KRb by resonance enhanced two-photon ionization in a pulsed
   molecular beam: Hyperfine structures of ^{39}K^{85}Rb and
   ^{39}K^{87}Rb isotopomers
AU Yonghoon Lee, Youngjee Yoon, Bongsoo Kim, Li Li, and Sungyul Lee
PP 6551-6556

TE Electron attachment to gas-phase uracil
AU S.Denifl, S.Ptasinska, G.Hanel, B.Gstir, M.Probst, P.Scheier,
   and T.D.Maerk
PP 6557-6565

TE Ab initio studies of alkyl radical reactions: Combination and
   disproportionation reactions of CH_{3} with C_{2}H_{5}, and the
   decomposition of chemically activated C_{3}H_{8}
AU R.S.Zhu, Z.F.Xu, and M.C.Lin
PP 6566-6573

TE Saturated adsorption of CO and coadsorption of CO and O_{2} on
   Au_{N}^{-} (N=2-7) clusters
AU D.W.Yuan and Zhi Zeng
PP 6574-6584

TE Accurate theoretical near-equilibrium potential energy and
   dipole moment surfaces of HgClO and HgBrO
AU Nikolai B.Balabanov and Kirk A.Peterson
PP 6585-6592

TE Thermal decomposition of ethanol. III. A computational study of
   the kinetics and mechanism for the CH_{3}+C_{2}H_{5}OH reaction
AU Z.F.Xu, J.Park, and M.C.Lin
PP 6593-6599

Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation

TE Optimal control of quantum non-Markovian dissipation: Reduced
   Liouville-space theory
AU Ruixue Xu, YiJing Yan, Yukiyoshi Ohtsuki, Yuichi Fujimura, and
   Herschel Rabitz
PP 6600-6608

TE Raman spectra of ionic liquids: Interpretation via computer
   simulation
AU Paul A.Madden, Mark Wilson, and Francis Hutchinson
PP 6609-6620

TE Quantum dynamics in simple fluids
AU C.P.Lawrence, A.Nakayama, N.Makri, and J.L.Skinner
PP 6621-6624

TE Infrared spectroscopy of acetone-water liquid mixtures. II.
   Molecular model
AU Jean-Joseph Max and Camille Chapados
PP 6625-6641

TE Mode-coupling theory for reaction dynamics in liquids
AU Nurit Shental and Eran Rabani
PP 6642-6647

TE Towards an understanding of the heat capacity of liquids. A
   simple two-state model for molecular association
AU Claudio A.Cerdeirin~a, Diego Gonzalez-Salgado, Luis Romani,
   Maria del Carmen Delgado, Luis A.Torres, and Miguel Costas
PP 6648-6659

TE Homogeneous nucleation of droplets from supersaturated vapor in
   a closed system
AU Zdenek Kozisek, Kyotaka Sato, Pavel Demo, and Alexei M.Sveshnikov
PP 6660-6664

TE Heat capacity and electron spin echo evidence for low frequency
   vibrational modes and lattice disorder in L-alanine at cryogenic
   temperatures
AU B.Rakvin, N.Maltar-Strmecki, C.M.Ramsey, and N.S.Dalal
PP 6665-6673

TE Temperature dependence of the hydrophobic hydration and
   interaction of simple solutes: An examination of five popular
   water models
AU Dietmar Paschek
PP 6674-6690

Surfaces, Interfaces, and Materials

TE Aspects of prewetting at nonplanar surfaces
AU Holger Bohlen and Martin Schoen
PP 6691-6700

TE Reduced photobleaching of chromophores close to a metal surface
AU Krasimir Vasilev, Fernando D.Stefani, Volker Jacobsen,
   Wolfgang Knoll, and Maximilian Kreiter
PP 6701-6704

TE Density functional theory investigation of benzenethiol
   adsorption on Au(111)
AU Jun Nara, Shin'ichi Higai, Yoshitada Morikawa, and Takahisa Ohno
PP 6705-6711

TE Dielectric response of modified Hubbard models with
   neutral-ionic and Peierls transitions
AU Zoltan G.Soos, Sharon A.Bewick, Andrea Peri, and Anna Painelli
PP 6712-6720

TE Density-functional study of organic-inorganic hybrid single
   crystal ZnSe(C_{2}H_{8}N_{2})_{1/2}
AU Huaxiang Fu and Jing Li
PP 6721-6725

TE Effects of the Gaussian energy dispersion on the statistics of
   polarons and bipolarons in conducting polymers
AU Juan Bisquert, Germa Garcia-Belmonte, and Jorge Garcia-Can~adas
PP 6726-6733

TE Integral equation study of a Stockmayer fluid adsorbed in polar
   disordered matrices
AU C.Spoeler and S.H.L.Klapp
PP 6734-6743

TE Hybrid atomistic-coarse-grained treatment of thin-film
   lubrication. I
AU Z.-B.Wu, D.J.Diestler, R.Feng, and X.C.Zeng
PP 6744-6750

Polymers, Biopolymers, and Complex Systems

TE A new cell model for equation of state of polyethylene melt and
   n-alkane
AU Masahiko Murakami
PP 6751-6755

TE Annealing contour Monte Carlo algorithm for structure
   optimization in an off-lattice protein model
AU Faming Liang
PP 6756-6763

TE Large effect of polydispersity on defect concentrations in
   colloidal crystals
AU Sander Pronk and Daan Frenkel
PP 6764-6768

TE Folding probabilities: A novel approach to folding transitions
   and the two-dimensional Ising-model
AU Peter Lenz, Bojan Zagrovic, Jessica Shapiro, and Vijay S.Pande
PP 6769-6778

TE Thermodynamics of lattice heteropolymers
AU Michael Bachmann and Wolfhard Janke
PP 6779-6791

	LETTERS TO THE EDITOR

Notes

TE Helium nanodroplet isolation spectroscopy of perylene and its
   complexes with oxygen
AU Pierre Carcabal, Roman Schmied, Kevin K.Lehmann, and
   Giacinto Scoles
PP 6792-6793

Comments

TE Comment on "Unraveling the mysteries of metastable O_{4}^{*}"
   [J. Chem. Phys., v.110, 6095 (1999)]
AU Dmitriy A.Chestakov, David H.Parker, Laura Dinu, and
   Alexey V.Baklanov
PP 6794-6796

Errata

TE Erratum: The Kramers' restricted complete active space
   self-consistent-field method for two-component molecular spinors
   and relativistic effective core potentials including spin-orbit
   interactions [J. Chem. Phys., v.119, 12169 (2003)]
AU Yong Seok Kim and Yoon Sup Lee
PP 6797

TE Publisher's Note: "Polymer-specific effects of bulk relaxation
   and stringlike correlated motion in the dynamics of a
   supercooled polymer melt" [J. Chem. Phys. 119, 5290 (2003)]
AU M.Aichele, Y.Gebremichael, F.W.Starr, J.Baschnagel, and
   S.C.Glotzer
PP 6798