The Journal of Chemical Physics, 2004, V 120, N 15, April 15.

COMMUNICATIONS


TE The Huggins band of ozone: Unambiguous
electronic an   vibrational assignment
AU Zheng-Wang Qu, Hui Zhu, Motomichi Tashiro,
Reinhard Schinke, and  Stavros C.Farantos
PP 6811-6814


	ARTICLES

Theoretical Methods and Algorithms

TE Bohmian dynamics on subspaces using linearized
quantum force
AU Vitaly A.Rassolov and Sophya Garashchuk
PP 6815-6825

TE Variational second-order Moller-Plesset
theory based on the   Luttinger-Ward functional
AU Nils Erik Dahlen and Ulf von Barth
PP 6826-6831

TE The importance of three-body terms in
the fragment moleculal  orbital method
AU Dmitri G.Fedorov and Kazuo Kitaura
PP 6832-6840

TE Analytic second derivatives for general
coupled-cluster and  configuration-interaction models
AU Mihaly Kallay and Juergen Gauss
PP 6841-6848

TE Unified treatment of chemical and van der Waals forces via
   symmetry-adapted perturbation expansion
AU Konrad Patkowski, Bogumil Jeziorski, and Krzysztof Szalewicz
PP 6849-6862

TE Simulation of environmental effects on coherent
quantum dynamics  in many-body systems
AU Jeanne M.Riga and Craig C.Martens
PP 6863-6873

TE Revealing the roles of Hamiltonian coupling in
bound-state  quantum systems
AU Byeong-Seo Cheong and Herschel Rabitz
PP 6874-6889

TE Computing minimal entropy production trajectories:
An approach   to model reduction in chemical kinetics
AU D.Lebiedz
PP 6890-6897

TE Meta-generalized gradient approximation: Explanation of a
   realistic nonempirical density functional
AU John P.Perdew, Jianmin Tao, Viktor N.Staroverov, and
   Gustavo E.Scuseria
PP 6898-6911

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

TE A complete nearest-neighbor force field model for C_{60}
AU Ian D.Hands, Janette L.Dunn, and Colin A.Bates
PP 6912-6921

TE Spectroscopy of the OC-HF hydrogen-bonded complex at v_{HF}=3
AU Zhenhong Yu, Cheng-chi Chuang, Patrick Medley, 
Todd A.Stone, and  William Klemperer
PP 6922-6929

TE High-level ab initio studies of the electronic excited states of
   the hydroxyl radical and water-hydroxyl complex
AU Daniel P.Schofield and Henrik G.Kjaergaard
PP 6930-6934

TE Fourier transform microwave spectroscopy of the
   Rg-SH(^{2}Pi_{i}) complexes (Rg:Ne, Kr): Determination of the
   intermolecular potential energy surfaces
AU Kohsuke Suma, Yoshihiro Sumiyoshi, and Yasuki Endo
PP 6935-6943

TE Vacuum ultraviolet pulsed-field ionization-photoelectron study
   of H_{2}S in the energy range of 10-17 eV
AU M.Hochlaf, K.-M.Weitzel, and C.Y.Ng
PP 6944-6956

TE Photolysis of oxalyl chloride (ClCO)_{2} at 193 nm: Emission of
   CO(v<=6, J<=60) detected with time-resolved Fourier-transform
   spectroscopy
AU Chia-Yan Wu, Yuan-Pern Lee, and Niann S.Wang
PP 6957-6963

TE Dissociation dynamics of thiolactic acid at 193 nm: Detection of
   the nascent OH product by laser-induced fluorescence
AU Kumbil K.Pushpa, Hari P.Upadhyaya, Awadhesh Kumar,
   Prakash D.Naik, Paramanand Bajaj, and Jai P.Mittal
PP 6964-6972

TE Vibrational relaxation of CH_{3}I in the gas phase and in
   solution
AU Christopher G.Elles, M.Jocelyn Cox, and F.Fleming Crim
PP 6973-6979

TE Threshold-photoelectron-spectroscopy-coincidence study of the
   double photoionization of HBr
AU Michele Alagia, Brunetto G.Brunetti, Pietro Candori,
   Stefano Falcinelli, Marc Moix Teixidor, Fernando Pirani,
   Robert Richter, Stefano Stranges, and Franco Vecchiocattivi
PP 6980-6984

TE Low-lying electronic states of HBr^{2+}
AU Michele Alagia, Brunetto G.Brunetti, Pietro Candori,
   Stefano Falcinelli, Marc Moix Teixidor, Fernando Pirani,
   Robert Richter, Stefano Stranges, and Franco Vecchiocattivi
PP 6985-6991

TE Intramolecular vibrational energy redistribution in the highly
   excited fluoroform molecule: A quantum mechanical study using
   the multiconfiguration time-dependent Hartree algorithm
AU Christophe Iung, Fabien Gatti, and Hans-Dieter Meyer
PP 6992-6998

TE Reactions of O^{+} with C_{n}H_{2n+2}, n=2-4: A guided-ion beam
   study
AU Dale J.Levandier, Yu-hui Chiu, and Rainer A.Dressler
PP 6999-7007

TE Photodissociation of benzene under collision-free conditions: An
   ab initio/Rice-Ramsperger-Kassel-Marcus study
AU V.V.Kislov, T.L.Nguyen, A.M.Mebel, S.H.Lin, and S.C.Smith
PP 7008-7017

TE A reduced dimensionality quasiclassical and quantum study of the
   proton transfer reaction H_{3}O^{+}+H_{2}O-->H_{2}O+H_{3}O^{+}
AU Jaime Rheinecker, Tiao Xie, and Joel M.Bowman
PP 7018-7023

TE Electron attachment and detachment and the electron affinity of
   cyclo-C_{4}F_{8}
AU Thomas M.Miller, Jeffrey F.Friedman, and A.A.Viggiano
PP 7024-7028

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

TE Excitation energy transfer (EET) between molecules in condensed
   matter: A novel application of the polarizable continuum model   (PCM)
AU Maria Francesca Iozzi, Benedetta Mennucci, Jacopo Tomasi, and
   Roberto Cammi
PP 7029-7040

TE Influence of strain on transport in dense Lennard-Jones systems
AU Janka Petravic
PP 7041-7049

TE Reorganization energy associated with small polaron mobility in
   iron oxide
AU Kevin M.Rosso and Michel Dupuis
PP 7050-7054

TE van der Waals-Tonks-type equations of state for hard-hypersphere
   fluids in four and five dimensions
AU Xian-Zhi Wang
PP 7055-7058

TE Ab initio based force field and molecular dynamics simulations
   of crystalline TATB
AU Richard H.Gee, Szczepan Roszak, Krishnan Balasubramanian, and
   Laurence E.Fried
PP 7059-7066

TE Periodic change of viscosity and density in an oscillating
   chemical reaction
AU Minoru Yoshimoto, Hiroyuki Shirahama, Shigeru Kurosawa, and
   Masayoshi Naito
PP 7067-7070

TE Experimental verification of the Smoluchowski theory for a
   bimolecular diffusion-controlled reaction in liquid phase
AU Toshihiko Arita, Okitsugu Kajimoto, Masahide Terazima, and
   Yoshifumi Kimura
PP 7071-7074

TE Is styrene planar in liquid phases?
AU Giorgio Celebre, Giuseppina De Luca, Marcello Longeri,
   Giuseppe Pileio, and James W.Emsley
PP 7075-7084

Surfaces, Interfaces, and Materials

TE On the influence of semirigid environments on proton transfer
   along molecular chains
AU Vincent Zoete and Markus Meuwly
PP 7085-7094

TE Energy of charged states in the acetanilide crystal: Trapping of
   charge-transfer states at vacancies as a possible mechanism for
   optical damage
AU D.Tsiaousis and R.W.Munn
PP 7095-7106

TE Sum frequency vibrational spectroscopy of leucine molecules
   adsorbed at air-water interface
AU Na Ji and Yuen-Ron Shen
PP 7107-7112

TE Kinetics of the CO oxidation reaction on Pt(111) studied by in
   situ high-resolution x-ray photoelectron spectroscopy
AU M.Kinne, T.Fuhrmann, J.F.Zhu, C.M.Whelan, R.Denecke, and
   H.-P.Steinrueck
PP 7113-7122

TE Electrofreezing of confined water
AU Ronen Zangi and Alan E.Mark
PP 7123-7130

TE Nanometer-size cluster formation in alkali-metal-doped fullerene
   layers
AU A.Touzik, H.Hermann, and K.Wetzig
PP 7131-7135

TE Reflectivity and anisotropic optical functions of
   quaterthiophene single crystals
AU S.Tavazzi, A.Borghesi, M.Campione, M.Laicini, S.Trabattoni, and
   P.Spearman
PP 7136-7140

TE Gold particle interaction in regular arrays probed by surface
   enhanced Raman scattering
AU N.Felidj, S.Lau Truong, J.Aubard, G.Levi, J.R.Krenn, A.Hohenau,
   A.Leitner, and F.R.Aussenegg
PP 7141-7146

TE Ozone adsorption on carbon nanotubes: The role of Stone-Wales
   defects
AU S.Picozzi, S.Santucci, L.Lozzi, L.Valentini, and B.Delley
PP 7147-7152

TE Infrared spectroscopy of the solid phases of ammonia
AU Jennifer S.Holt, David Sadoskas, and Christopher J.Pursell
PP 7153-7157

TE Broadband femtosecond sum-frequency spectroscopy of CO on
   Ru{101-bar 0} in the frequency and time domains
AU Jonathan P.R.Symonds, Heike Arnolds, Vanessa L.Zhang,
   Katsuyuki Fukutani, and David A.King
PP 7158-7164

TE Lagrange multiplier based transport theory for quantum wires
AU D.S.Kosov
PP 7165-7168

TE Interaction of atomic hydrogen with single-walled carbon
   nanotubes: A density functional theory study
AU Veronica Barone, Jochen Heyd, and Gustavo E.Scuseria
PP 7169-7173

Polymers, Biopolymers, and Complex Systems

TE Analytic density-functional self-consistent-field theory of
   diblock copolymers near patterned surfaces
AU Chaok Seok, Karl F.Freed, and Igal Szleifer
PP 7174-7182

TE Membrane inclusions as coupled harmonic oscillators: Effects due
   to anisotropic membrane slope relaxation
AU Michael B.Partenskii, Gennady V.Miloshevsky, and Peter C.Jordan
PP 7183-7193

TE Localization and freezing of a Gaussian chain in a quenched
   random potential
AU Vakhtang G.Rostiashvili and Thomas A.Vilgis
PP 7194-7205

TE Properties of branched confined polymers
AU Andrzej Sikorski and Piotr Romiszowski
PP 7206-7211

TE Microscopic theory of gelation and elasticity in
   polymer-particle suspensions
AU Yeng-Long Chen and Kenneth S.Schweizer
PP 7212-7222

TE Density-functional theory of spherical electric double layers
   and zeta potentials of colloidal particles in
   restricted-primitive-model electrolyte solutions
AU Yang-Xin Yu, Jianzhong Wu, and Guang-Hua Gao
PP 7223-7233

LETTERS TO THE EDITOR

Errata

TE Publisher's Note: "Multiconfigurational system-bath dynamics
   using Gaussian wave packets: Energy relaxation and decoherence
   induced by a finite-dimensional bath" [J. Chem. Phys. 119, 5364
   (2003)]
AU Irene Burghardt, Mathias Nest, and Graham A.Worth
PP 7234