The Journal of Chemical Physics, 2003, V 118, N 23, June 15.

COMMUNICATIONS

TE Polarized total-reflection x-ray absorption fine structure for
   self-assembled monolayer of zinc porphyrin at air-water interface
AU Hajime Tanida, Hirohisa Nagatani, and Iwao Watanabe
PP 10369-10371

TE Magnetism induced by the organization of self-assembled
   monolayers
AU I.Carmeli, G.Leitus, R.Naaman, S.Reich, and Z.Vager
PP 10372-10375

ARTICLES

Theoretical Methods and Algorithms

TE Nuclear magnetic resonance implementation of the Deutsch-Jozsa
   algorithm using different initial states
AU Vladimir L.Ermakov and B.M.Fung
PP 10376-10381

TE Peculiarities of time dependence of the current-current
   correlation function
AU T.V.Lokotosh, N.P.Malomuzh, and K.S.Shakun
PP 10382-10386

TE Accurate quantum calculations on three-body collisions in
   recombination and collision-induced dissociation. II. The smooth
   variable discretization enhanced renormalized Numerov propagator
AU F.D.Colavecchia, F.Mrugala, G.A.Parker, and R.T Pack
PP 10387-10398

TE Mixed quantum-classical Liouville molecular dynamics without
   momentum jump
AU Koji Ando and Mark Santer
PP 10399-10406

TE Quantitative prediction of gas-phase ^{13}C nuclear magnetic
   shielding constants
AU Alexander A.Auer, Juergen Gauss, and John F.Stanton
PP 10407-10417

TE On the performance of four-component relativistic density
   functional theory: Spectroscopic constants and dipole moments of
   the diatomics HX and XY (X,Y=F, Cl, Br, and I)
AU O.Fossgaard, O.Gropen, M.Corral Valero, and T.Saue
PP 10418-10430

TE New rovibrational kinetic energy operators using polyspherical
   coordinates for polyatomic molecules
AU David W.Schwenke
PP 10431-10438

TE Open-shell localized Hartree-Fock approach for an efficient
   effective exact-exchange Kohn-Sham treatment of open-shell atoms
   and molecules
AU Fabio Della Sala and Andreas Goerling
PP 10439-10454

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

TE Photo-induced reactions in the ion-molecule complex
   Mg^{+}-OCNC_{2}H_{5}
AU Ju-Long Sun, Haichuan Liu, Ke-Li Han, and Shihe Yang
PP 10455-10460

TE Sodium hydroxide formation in water clusters: The role of
   hydrated electrons and the influence of electric field
AU Y.Ferro and A.Allouche
PP 10461-10469

TE High-resolution jet-cooled and room temperature infrared spectra
   of the nu_{3} CH stretch of vinoxy radical
AU Yu.G.Utkin, Jia-Xiang Han, Fuge Sun, Hong-Bing Chen,
   Graham Scott, and R.F.Curl
PP 10470-10476

TE Experimental and theoretical investigation of the AlH b
   ^{3}Sigma^{-}-a ^{3}Pi electronic transition
AU Chong Tao, Xiaofeng Tan, Paul J.Dagdigian, and
   Millard H.Alexander
PP 10477-10484

TE Ion dissociation dynamics of the chlorine azide cation
   (ClN_{3}^{+}) investigated by velocity map imaging
AU N.Hansen, A.M.Wodtke, A.V.Komissarov, K.Morokuma, and M.C.Heaven
PP 10485-10493

TE Photodissociation of CH_{2}Br_{2}, 1,1- and 1,2-C_{2}H_{4}Br_{2}
   at 248 nm: A simple C-Br bond fission versus a concerted
   three-body formation
AU Ya-Rong Lee, Cheng-Chu Chen, and Shen-Maw Lin
PP 10494-10501

TE Quantum reactive scattering calculations for the D+H_{2}-->HD+H
   reaction
AU Brian K.Kendrick
PP 10502-10522

TE Monodromy in the spectrum of a rigid symmetric top molecule in
   an electric field
AU I.N.Kozin and R.M.Roberts
PP 10523-10533

TE Theoretical investigations on relative stabilities of fullerene
   C_{94}
AU Xiang Zhao, Zdenek Slanina, Hitoshi Goto, and Eiji Osawa
PP 10534-10540

TE Isomerism of the anion of the indole-water dimer. Ab initio study
AU Abraham F.Jalbout, Caitlin S.Hall, and Ludwik Adamowicz
PP 10541-10546

TE Radiative association of HeH_{2}^{+}
AU Felicja Mrugala, Vladimir spirko, and Wolfgang P.Kraemer
PP 10547-10560

TE High-resolution electronic spectroscopy of a nonlinear carbon
   chain radical C_{6}H_{4}^{+}
AU Mitsunori Araki, Harold Linnartz, Pawel Cias, Alexey Denisov,
   Jan Fulara, Anton Batalov, Ivan Shnitko, and John P.Maier
PP 10561-10565

TE Photodissociation of O_{2} via the Herzberg continuum:
   Measurements of O-atom alignment and orientation
AU Andrew J.Alexander, Zee Hwan Kim, and Richard N.Zare
PP 10566-10574

TE Combustion and atmospheric oxidation of hydrocarbons:
   Theoretical study of the methyl peroxyl self-reaction
AU Giovanni Ghigo, Andrea Maranzana, and Glauco Tonachini
PP 10575-10583

TE The hydrolysis process of the
   cis-dichloro(ethylenediamine)platinum(II): A theoretical study
AU Luiz Antonio Sodre Costa, Willian R.Rocha, Wagner B.De Almeida,
   and Helio F.Dos Santos
PP 10584-10592

TE Quantifying multiple-body interaction terms in H-bonded HCN
   chains with many-body perturbation/coupled-cluster theories
AU Roberto Rivelino, Puspitapallab Chaudhuri, and Sylvio Canuto
PP 10593-10601

TE Ab initio study of the two lowest triplet potential energy
   surfaces involved in the N(^{4}S)+NO (X ^{2}Pi) reaction
AU P.Gamallo, Miguel Gonzalez, and R.Sayos
PP 10602-10610

TE Termolecular collisions between benzene and Ar
AU V.Bernshtein and I.Oref
PP 10611-10622

TE The treacherous potential energy hypersurface of AgSiO
AU Rui Guo, Krishnan Balasubramanian, and Henry F.Schaefer III
PP 10623-10630

TE The standard enthalpy of formation of CH_{2}
AU Attila G.Csaszar, Matthew L.Leininger, and Viktor Szalay
PP 10631-10642

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

TE Nonpolar solvation dynamics in supercritical fluids
AU S.A.Egorov
PP 10643-10650

TE Energy landscape picture of supercooled liquids: Application of
   a generalized random energy model
AU Masaki Sasai
PP 10651-10662

TE Kirkwood-Buff derived force field for mixtures of acetone and
   water
AU Samantha Weerasinghe and Paul E.Smith
PP 10663-10670

TE Melting of 55-atom Morse clusters
AU Pooja Shah, Sharani Roy, and Charusita Chakravarty
PP 10671-10682

TE Equation of state and intermolecular interactions in fluid
   hydrogen from Brillouin scattering at high pressures and
   temperatures
AU Kiyoto Matsuishi, Eugene Gregoryanz, Ho-kwang Mao, and
   Russell J.Hemley
PP 10683-10695

TE The phase diagram of the two center Lennard-Jones model as
   obtained from computer simulation and Wertheim's thermodynamic
   perturbation theory
AU C.Vega, C.McBride, E.de Miguel, F.J.Blas, and A.Galindo
PP 10696-10706

TE Local atomic structural order in the supercooled liquid and
   glassy Al under normal and high pressures
AU Li Hui and Francesco Pederiva
PP 10707-10711

TE The Cotton-Mouton effect of furan and its homologues in the gas
   phase, for the pure liquids and in solution
AU Chiara Cappelli, Antonio Rizzo, Benedetta Mennucci,
   Jacopo Tomasi, Roberto Cammi, Geert L.J.A.Rikken,
   Renaud Mathevet, and Carlo Rizzo
PP 10712-10724

Surfaces, Interfaces, and Materials

TE Ab initio modeling of B and N in C_{29} and C_{29}H_{24}
   nanodiamond
AU A.S.Barnard, S.P.Russo, and I.K.Snook
PP 10725-10728

TE A thin-thick transition in the surface-frozen layer of a binary
   alcohol mixture
AU E.Sloutskin, H.Kraack, O.Gang, B.M.Ocko, E.B.Sirota, and
   M.Deutsch
PP 10729-10734

TE Molecular orientation of CN adsorbed on Pd(110)
AU F.Bondino, E.Vesselli, A.Baraldi, G.Comelli, A.Verdini,
   A.Cossaro, L.Floreano, and A.Morgante
PP 10735-10740

TE Effect of ion hydration on the first-order transition in the
   sequential wetting of hexane on brine
AU Volker C.Weiss and Joseph O.Indekeu
PP 10741-10751

TE Optical properties and orientation of arrays of polystyrene
   spheres deposited using convective self-assembly
AU Kurt Wostyn, Yuxia Zhao, Brandon Yee, Koen Clays,
   Andre Persoons, Gaetan de Schaetzen, and Louis Hellemans
PP 10752-10757

TE Homeotropic-planar anchoring transition induced by trans-cis
   isomerization in ultrathin polyimide Langmuir-Blodgett films
AU A.V.Zakharov and Mitsumasa Iwamoto
PP 10758-10761

Polymers, Biopolymers, and Complex Systems

TE Coarse molecular dynamics of a peptide fragment: Free energy,
   kinetics, and long-time dynamics computations
AU Gerhard Hummer and Ioannis G.Kevrekidis
PP 10762-10773

TE Complexes of polyelectrolytes and oppositely charged ionic
   surfactants
AU C.von Ferber and H.Loewen
PP 10774-10779

TE Casimir force between colloidal particles immersed in a critical
   polymer blend
AU H.Ridouane, E.-K.Hachem, and M.Benhamou
PP 10780-10786

TE Connectedness percolation in athermal mixtures of flexible and
   rigid macromolecules: Analytic theory
AU Xiaoling Wang and Avik P.Chatterjee
PP 10787-10793

TE Integral equation theories for monodisperse and polydisperse
   sticky hard sphere chain fluid: Thermodynamic and structural
   properties in the polymer Percus-Yevick and ideal chain
   approximations
AU Ning Wu, S.S.Feng, and Y.C.Chiew
PP 10794-10807