The Journal of Chemical Physics, 2003, V 119, N 20, November 22.

 Monitoring chemical reactions at a liquid–solid interface: Water on CuIn(S,Se)2 
 thin film solar cell absorbers
C. Heske, U. Groh, O. Fuchs, L. Weinhardt, E. Umbach, Th. Schedel-Niedrig, 
Ch.-H. Fischer, M. Ch. Lux-Steiner, S. Zweigart, T. P. Niesen, 
F. Karg, J. D. Denlinger, B. Rude, C. Andrus, and F. Powell
pp. 10467-10470

 Infrared spectroscopy of V+(H2O) and V+(D2O) complexes: Solvent 
 deformation and an incipient reaction
N. R. Walker, R. S. Walters, E. D. Pillai, and M. A. Duncan
pp. 10471-10474

 Energy estimators for random series path-integral methods
Cristian Predescu, Dubravko Sabo, J. D. Doll, and David L. Freeman
pp. 10475-10488

 Restricted density-functional linear response theory calculations
 of electronic g-tensors
Zilvinas Rinkevicius, Lyudmyla Telyatnyk, Pawel Salek, 
Olav Vahtras, and Hans Agren
pp. 10489-10496

 Dispersion interaction of high-spin open-shell complexes in the 
 random phase approximation
Piotr S. Zuchowski, Beatrice Bussery-Honvault, Robert Moszynski, 
and Bogumil Jeziorski
pp. 10497-10511

 On one-dimensional discrete variable representations with 
 general basis functions
Viktor Szalay, Gabor Czako, Adam Nagy, Tibor Furtenbacher, 
and Attila G. Csaszar
pp. 10512-10518

 Nonlinear optical response properties of molecules in condensed 
 phases using the coupled cluster/dielectric continuum or
 molecular mechanics methods
Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen, and Ove Christiansen
pp. 10519-10535

 Zero-variance zero-bias principle for observables in quantum 
 Monte Carlo: Application to forces
Roland Assaraf and Michel Caffarel
pp. 10536-10552

 The formic acid dimer (HCOOH)2 probed by time-resolved structure 
 selective spectroscopy
V. V. Matylitsky, C. Riehn, M. F. Gelin, and B. Brutschy
pp. 10553-10562

 Close coupling calculations for rotational relaxation of CO in argon: 
 Accuracy of energy corrected sudden scaling procedures and 
 comparison with experimental data
R. Z. Martinez, J. L. Domenech, D. Bermejo, F. Thibault, 
J.-P. Bouanich, and C. Boulet
pp. 10563-10574

 Impact of interatomic electronic decay processes on Xe 4d 
 hole decay in the xenon fluorides
Christian Buth, Robin Santra, and Lorenz S. Cederbaum
pp. 10575-10584

 Computational study of the rate constants and kinetic isotope 
 effects for the CH3 + HBrCH4 + Br reaction
Li Sheng, Ze-Sheng Li, Jing-Yao Liu, and Chia-Chung Sun
pp. 10585-10590

 A comparison of stable carbonyls formed in the gas-phase 
 reaction between group 10 atomic anions and methanol or
 methoxy radicals: Anion photoelectron spectroscopy and 
 density functional theory calculations on HNiCO–, PdCO–, and PtCO–
Bappaditya Chatterjee, F. Ahu Akin, Caroline Chick Jarrold,
and Krishnan Raghavachari
pp. 10591-10599

 The reaction of OH with acetone and acetone-d6 from 298 to 832 K: 
 Rate coefficients and mechanism
Takahiro Yamada, Philip H. Taylor, A. Goumri, and Paul Marshall
pp. 10600-10606

 Combined crossed-beam studies of C(3PJ) + C2H4C3H3 + H reaction 
 dynamics between 0.49 and 30.8 kJ mol–1
Wolf D. Geppert, Christian Naulin, Michel Costes, Giovanni Capozza,
Laura Cartechini, Piergiorgio Casavecchia, and Gian Gualberto Volpi
pp. 10607-10617

 A direct classical trajectory study of the acetone photodissociation 
 on the triplet surface
E. Martinez-Nunez, A. Fernandez-Ramos, M. N. D. S. Cordeiro, 
S. A. Vazquez, F. J. Aoiz, and L. Banares
pp. 10618-10625

 Size dependence of CH stretching features on diamond nanocrystal
 surfaces: Infrared spectroscopy and density functional theory calculations
Y.-R. Chen, H.-C. Chang, C.-L. Cheng, C.-C. Wang, and J. C. Jiang
pp. 10626-10632

 Relativistic coupled cluster calculations of the energies for rubidium 
 and cesium atoms
Rajat K. Chaudhuri, Bijaya Kumar Sahoo, Bhanu Pratap Das, 
Holger Merlitz, Uttam Sinha Mahapatra, and Debashis Mukherjee
pp. 10633-10637

 Experimental and theoretical study of distribution of O2 molecules 
 over vibrational levels in O2(a 1g)–I mixture
Ivan O. Antonov, Valery N. Azyazov, and Nikolay I. Ufimtsev
pp. 10638-10646

 The aminoboranylidene–iminoborane isomerization
Victor M. Rosas-Garcia and T. Daniel Crawford
pp. 10647-10652

 Manipulating bond lengths adiabatically with light
Ignacio R. Sola, Bo Y. Chang, and Herschel Rabitz
pp. 10653-10657

 Detailed dynamics of a complex photochemical reaction: 
 Cis–trans photoisomerization of stilbene
Yusheng Dou and Roland E. Allen
pp. 10658-10666

 Ab initio study of the HO2 + NO reaction: Prediction of the
 total rate constant and product branching ratios for 
 the forward and reverse processes
R. S. Zhu and M. C. Lin
pp. 10667-10677

 A quantum dynamical study of the He+ + 2HeHe + He reaction
Junkai Xie, Bill Poirier, and Gregory I. Gellene
pp. 10678-10686

 Studies of Ar:HBr using fast scan submillimeter-wave and
microwave coaxial pulsed jet spectrometers with sub-kHz precision
B. A. McElmurry, R. R. Lucchese, J. W. Bevan, 
I. I. Leonov, S. P. Belov, and A. C. Legon
pp. 10687-10695

 Zwitterion formation in hydrated amino acid, dipole bound anions: 
 How many water molecules are required?
Shoujun Xu, J. Michael Nilles, and Kit H. Bowen, Jr.
pp. 10696-10701

 Studies of metal hydrosulfides III: The millimeter/submillimeter 
 spectrum of BaSH ( 2A)
A. Janczyk and L. M. Ziurys
pp. 10702-10712

 Critical comparison of single-reference and multireference 
 coupled-cluster methods: Geometry, harmonic frequencies, 
 and excitation energies of N2O2
Motoi Tobita, S. Ajith Perera, Monika Musial, Rodney J. Bartlett, 
Marcel Nooijen, and Jae Shin Lee
pp. 10713-10723

 A global electric dipole function of ammonia and isotopomers
 in the electronic ground state
Roberto Marquardt, Martin Quack, Ioannis Thanopulos, 
and David Luckhaus
pp. 10724-10732

 Reversible work of the formation of a layer of a new phase on a 
 spherical charged conductor within a uniform multicomponent 
 macroscopic mother phase
M. Noppel, H. Vehkamaki, and M. Kulmala
pp. 10733-10744

 Factorized time correlation diagram analysis of Raman induced Kerr effect 
 spectroscopy using noisy light
Daniel B. Turner and Darin J. Ulness
pp. 10745-10752

 Evidence of charge-enhanced C–H–O interactions in aqueous protonated 
 imidazole probed by high pressure infrared spectroscopy
Chih-Chia Su, Hai-Chou Chang, Jyh-Chiang Jiang, Pei-Ying Wei, 
Li-Chuan Lu, and Sheng Hsien Lin
pp. 10753-10758

 On different possibilities of a thermodynamically consistent determination 
 of the work of critical cluster formation in nucleation theory
Jurn W. P. Schmelzer and Vladimir G. Baidakov
pp. 10759-10763

 Molecular dynamics simulation of nucleation in the presence of a carrier gas
S. Toxvaerd
pp. 10764-10770
 
 A ground level interpretation of the dielectric behavior of diluted alcohol-in-carbon 
 tetrachloride mixtures
M. Pieruccini, F. Saija, R. Ponterio, and C. Vasi
pp. 10771-10776

 Analytical implementation and critical tests of fluid thermodynamic perturbation theory
Dor Ben-Amotz and George Stell
pp. 10777-10788

 The cooperative dynamics of the H-bond system in 2-propanol/water mixtures: 
 Steric hindrance effects of nonpolar head group
Takaaki Sato and Richard Buchner
pp. 10789-10800

 Low-frequency Raman study of water–ethylene glycol oligomer binary mixtures
Yuko Amo, Yuriko Inadachi, and Yasunori Tominaga
pp. 10801-10805

 A high-resolution neutron powder diffraction study of ammonia dihydrate (ND3·2D2O) phase I
A. D. Fortes, I. G. Wood, J. P. Brodholt, M. Alfredsson, L. Vocadlo, 
G. S. McGrady, and K. S. Knight
pp. 10806-10813

 Infrared spectra of trans-HOCO, HCOOH+, and HCO trapped in solid neon
Daniel Forney, Marilyn E. Jacox, and Warren E. Thompson
pp. 10814-10823

 Infrared spectra of HOCO+ and of the complex of H2 with CO trapped in solid neon
Marilyn E. Jacox and Warren E. Thompson
pp. 10824-10831
   

 Phase behavior of hard-core lattice gases: A fundamental measure approach
Luis Lafuente and Jose A. Cuesta
pp. 10832-10843


 The influence of steps on the dissociation of NO on Pt surfaces: 
 Temperature-programmed desorption studies of NO adsorption on Pt{211}
R. J. Mukerji, A. S. Bolina, and W. A. Brown
pp. 10844-10852

 Ultrahigh vacuum and high-pressure coadsorption of CO and H2 on Pd(111): 
 A combined SFG, TDS, and LEED study
Matthias Morkel, Gunther Rupprechter, and Hans-Joachim Freund
pp. 10853-10866

 Multilayer growth and chemisorbate reactivity of methanol on Pd{110}
Stephanie J. Pratt, Daniel K. Escott, and David A. King
pp. 10867-10878

 2,5-dichlorothiophenol on Cu(111): Initial adsorption site and scanning tunnel 
 microscope-based ion of hydrogen at high intramolecular selectivity
Bommisetty V. Rao, Ki-Young Kwon, Anwei Liu, and Ludwig Bartels
pp. 10879-10884

 Surface structure of Co–Pd bimetallic particles supported on Al2O3 thin films 
 studied using infrared reflection absorption spectroscopy of CO
A. F. Carlsson, M. Baumer, T. Risse, and H.-J. Freund
pp. 10885-10894

 Interaction of sulfur dioxide with titanium–carbide nanoparticles and surfaces:
 A density functional study
Ping Liu and Jose A. Rodriguez
pp. 10895-10903

 NO2 and CO gas adsorption on carbon nanotubes: Experiment and theory
S. Santucci, S. Picozzi, F. Di Gregorio, L. Lozzi, C. Cantalini, L. Valentini, J. M. Kenny, 
and B. Delley
pp. 10904-10910

 Temperature evolution of structural and magnetic properties of transition metal clusters
Zacharias Fthenakis, Antonis N. Andriotis, and Madhu Menon
pp. 10911-10916

 Are both symmetric and buckled dimers on Si(100) minima? Density functional 
 and multireference perturbation theory calculations
Yousung Jung, Yihan Shao, Mark S. Gordon, Douglas J. Doren, and
Martin Head-Gordon
pp. 10917-10923

 Charge recombination in a poly(para-phenylene vinylene)-fullerene derivative 
 composite film studied by transient, nonresonant, hole-burning spectroscopy
Ton Offermans, Stefan C. J. Meskers, and Rene A. J. Janssen
pp. 10924-10929

 Comparison of experimental and calculated infrared spectra of aminocarbynes 
 on the Pt(111) surface
Bappaditya Chatterjee, Dae-Hyuk Kang, Eldad Herceg, and Michael Trenary
pp. 10930-10940

 Quantum and classical aspects of activated surface diffusion
Anatoly I. Shushin and Eli Pollak
pp. 10941-10952

 Liquid–liquid demixing in a binary polymer blend driven solely by the 
 component-selective crystallizability
Wenbing Hu and Vincent B. F. Mathot
pp. 10953-10957

 Fluid–solid equilibria of flexible and linear rigid tangent chains from 
 Wertheim's thermodynamic perturbation theory
Felipe J. Blas, Eduardo Sanz, Carlos Vega, and Amparo Galindo
pp. 10958-10971

 Effect of protein–protein interactions on protein aggregation kinetics
Jing Zhang and Xiang Y. Liu
pp. 10972-10976

 Self-consistent field theory of brushes of neutral water-soluble polymers
Vladimir A. Baulin, Ekaterina B. Zhulina, and Avi Halperin
pp. 10977-10988