The Journal of Chemical Physics, 2004, V 121, N 7, 15 August.


 Optical excitation and absorption 
 spectra of C50Cl10
 Rui-Hua Xie, Garnett W. Bryant, 
 Chiu Fung Cheung, Vedene H. Smith, Jr. , 
 and Jijun Zhao
 pp. 2849-2851

 Theory of aging in structural glasses
 Vassiliy Lubchenko and Peter G. Wolynes
 pp. 2852-2865

 Multiresolution quantum chemistry in
 multiwavelet bases: Analytic derivatives
 for Hartree–Fock and density functional theory
 Takeshi Yanai, George I. Fann, 
 Zhengting Gan, Robert J. Harrison, 
 and Gregory Beylkin
 pp. 2866-2876

 The quasi-independent curvilinear 
 coordinate approximation for 
 geometry optimization
 Karoly Nemeth and Matt Challacombe
 pp. 2877-2885

 Revisiting infinite lattice sums with
 the periodic fast multipole method
 Konstantin N. Kudin and Gustavo E. Scuseria
 pp. 2886-2890

 Effective potential analytic continuation
 calculations of real time quantum
 correlation functions: Asymmetric systems
 Atsushi Horikoshi and Kenichi Kinugawa
 pp. 2891-2898

 Nonexponential statistics of fluorescence
 photobleaching
 Andrew J. Berglund
 pp. 2899-2903

 Overcoming free energy barriers using
 unconstrained molecular dynamics simulations
 Jerome Henin and Christophe Chipot
 pp. 2904-2914

 Linear-scaling formation of Kohn-Sham
 Hamiltonian: Application to the calculation
 of excitation energies and polarizabilities
 of large molecular systems
 Mark A. Watson, Pawe Saek, Peter Macak, 
 and Trygve Helgaker
 pp. 2915-2931

 Thermodynamic length in a two-dimensional
 thermodynamic state space
 Manuel Santoro
 pp. 2932-2936

 Contracted basis Lanczos methods for 
 computing numerically exact rovibrational
 levels of methane
 Xiao-Gang Wang and Tucker Carrington, Jr.
 pp. 2937-2954

 Incoherent noise and quantum
 information processing
 N. Boulant, J. Emerson, T. F. Havel,
 D. G. Cory, and S. Furuta
 pp. 2955-2961

 Ab initio calculations on low-lying electronic
 states of TeO2 and Franck-Condon
 simulation of the (1)1B2 1A1 TeO2 
 absorption spectrum including anharmonicity
 Edmond P. F. Lee, Daniel K. W. Mok,
 Foo-tim Chau, and John M. Dyke
 pp. 2962-2974

 Raman spectra of (He)N-Br2(X) clusters: 
 The role of boson/fermion statistics 
 in a quantum solvent
 D. Lopez-Duran, M. P. de Lara-Castells,
 G. Delgado-Barrio, P. Villarreal, 
 C. Di. Paola, F. A. Gianturco, and J. Jellinek
 pp. 2975-2984

 Franck-Condon effects in collision-induced
 electronic energy transfer: I2(E;v = 1,2) + He, Ar
 Pooja P. Chandra and Thomas A. Stephenson
 pp. 2985-2991

 Direct potential fit analysis of the X 1+ 
 ground state of CO
 John A. Coxon and Photos G. Hajigeorgiou
 pp. 2992-3008

 Infrared spectrum and stability of a -type
 hydrogen-bonded complex between
 the OH and C2H2 reactants
James B. Davey, Margaret E. Greenslade, 
Mark D. Marshall, Marsha I. Lester,
and Martyn D. Wheeler
pp. 3009-3018

 Spectroscopic implications of the coupling
 of unquenched angular momentum to 
 rotation in OH-containing complexes
 Mark D. Marshall and Marsha I. Lester
 pp. 3019-3029

 Electron and nuclear dynamics of molecular
 clusters in ultraintense laser fields. 
 III. Coulomb explosion of deuterium clusters
 Isidore Last and Joshua Jortner
 pp. 3030-3043

 Kinetic temperature effects on 4He dimers in jets
 R. Kariotis, L. W. Bruch, and O. Kornilov
 pp. 3044-3050

 Electric field effects on the shielding constants
 of noble gases: A four-component relativistic
 Hartree-Fock study
 Magdalena Pecul, Trond Saue, Kenneth Ruud, 
 and Antonio Rizzo
 pp. 3051-3057

 Predissociation and autoionization of triplet
 Rydberg states in molecular hydrogen
 Laura Dinu, Yan J. Picard, and 
 Wim J. van der Zande
 pp. 3058-3068

 Channel switching effect in photodissociating
 N2O+ ion at 312.5 nm
 Haifeng Xu, Ying Guo, Qifeng Li, Yong Shi, 
 Shilin Liu, and Xingxiao Ma
 pp. 3069-3073

 Collision-energy-resolved Penning ionization
 electron spectroscopy of bromomethanes
 (CH3Br, CH2Br2, and CHBr3) by collision 
 with He*(23S) metastable atoms
 Naoki Kishimoto, Eiichi Matsumura, 
 Koichi Ohno, and Michael S. Deleuze
 pp. 3074-3086

 Infrared spectra of seeded hydrogen 
 clusters: (paraH2)N–OCS, (orthoH2)N–OCS, 
 and (HD)N–OCS, N = 2–7
 J. Tang and A. R. W. McKellar
 pp. 3087-3095

 Assessment of recently developed 
 exchange-correlation functionals for
 the description of torsion potentials 
 in -conjugated molecules
 Juan Carlos Sancho-Garcia 
 and Jerome Cornil
 pp. 3096-3101

 Evaporatively cooled M+(H2O)Ar cluster 
 ions: Infrared spectroscopy and internal
 energy simulations
 Timothy D. Vaden, Corey J. Weinheimer, 
 and James M. Lisy
 pp. 3102-3107

 Insights into the structures, energetics, 
 and vibrations of aqua-rubidium(I) 
 complexes: Ab Initio study
 Jungwon Park, Maciej Koaski, 
 Han Myoung Lee, and Kwang S. Kim
 pp. 3108-3116

 Ab initio potential energy surfaces of the 
 ion-molecule reaction: C2H2 + O+
Kaori Fukuzawa, Toshio Matsushita, 
and Keiji Morokuma
pp. 3117-3129

 Structures of HCN-Mgn (n = 2–6) complexes
 from rotationally resolved vibrational 
 spectroscopy and ab initio theory
 P. L. Stiles, D. T. Moore, and R. E. Miller
 pp. 3130-3142

 Solvation effects in near-critical binary mixtures
 Akira Onuki and Hikaru Kitamura
 pp. 3143-3151

 Resonant enhancement of two-photon
 absorption in substituted fluorene molecules
Joel M. Hales, David J. Hagan, Eric W. Van Stryland,
K. J. Schafer, A. R. Morales, K. D. Belfield, 
P. Pacher, O. Kwon, E. Zojer, and J. L. Bredas
pp. 3152-3160

 The glass-to-liquid transition of the
 emulsified high-density amorphous
 ice made by pressure-induced amorphization
 Osamu Mishima
 pp. 3161-3164

 Characterization of heteronuclear decoupling
 through proton spin dynamics in solid-state
 nuclear magnetic resonance spectroscopy
 Gael De Paepe, Benedicte Elena, 
 and Lyndon Emsley
 pp. 3165-3180

 Phase behavior and critical properties
 of size-asymmetric, primitive-model electrolytes
 Yuan Qin and John M. Prausnitz
 pp. 3181-3183

 The effect of the cation substitution on the 
 structural and vibrational properties of 
 Cs2NaGaxSc1–xF6 solid solution
 A. C. Doriguetto, T. M. Boschi, P. S. Pizani, 
 Y. P. Mascarenhas, and J. Ellena
 pp. 3184-3190

 A mean field analysis of the static dielectric
 behavior of linear lower alcohols
 M. Pieruccini and F. Saija
 pp. 3191-3196

 Modeling velocity autocorrelation functions
 for confined fluids using  distributions
S. H. Krishnan and K. G. Ayappa
 pp. 3197-3205

 A cellular automaton for the modeling
 of oscillations in a surface reaction
 M. C. Lemos and F. Jimenez-Morales
 pp. 3206-3211

 Quasielastic and inelastic neutron scattering
 on hydrated calcium silicate pastes
 Antonio Faraone, Emiliano Fratini, 
 Piero Baglioni, and Sow-Hsin Chen
 pp. 3212-3220

 Modulated hydrogen beam study of 
 adsorption-induced desorption of 
 deuterium from Si(100)-3?1:D surfaces
 F. Rahman, M. Kuroda, T. Kiyonaga, 
 F. Khanom, H. Tsurumaki, S. Inanaga, 
 and A. Namiki
 pp. 3221-3227

 Theoretical investigation of electromechanical 
 effects for graphyne carbon nanotubes
 V. R. Coluci, D. S. Galvao, and R. H. Baughman
 pp. 3228-3237

 Single molecule photon emission statistics
 for non-Markovian blinking models
 Yujun Zheng and Frank L. H. Brown
 pp. 3238-3252

 Grand canonical Monte Carlo simulation of 
 a model colloid–polymer mixture: 
 Coexistence line, critical behavior, 
 and interfacial tension
 R. L. C. Vink and J. Horbach
 pp. 3253-3258

 The role of molecular shape in bilayer 
 elasticity and phase behavior
 Grace Brannigan, Adele C. Tamboli, 
 and Frank L. H. Brown
 pp. 3259-3271

 A statistical-mechanical model of 
 polymer liquid crystals subjected to 
 external deformations
 Witold Brostow and Janusz Walasek
 pp. 3272-3281

 Hydrogen motions in the -relaxation regime 
 of poly(vinyl ethylene): A molecular dynamics 
 simulation and neutron scattering study
 A. Narros, F. Alvarez, A. Arbe, J. Colmenero, 
 D. Richter, and B. Farago
 pp. 3282-3294

 Contributions of short-range and 
 excluded-volume interactions to unperturbed 
 polymer chain dimensions
 Hiromi Yamakawa and Takenao Yoshizaki
 pp. 3295-3298

 Anisotropic colloidal particles in critical fluids
 E. Eisenriegler
 pp. 3299-3322

 Comparison in fractal dimension between
 those obtained from structure factor and 
 viscoelasticity of gel networks of 
 1,3:2,4-bis-O-(p-methylbenzylidene)-D-sorbitol
 in polystyrene melt at gel point
 Mikihito Takenaka, Toshiaki Kobayashi, 
 Kenji Saijo, Hirokazu Tanaka, Naoki Iwase, 
 Takeji Hashimoto, and Masaoki Takahashi
 pp. 3323-3328

 Memory effects in collective dynamics of 
 Brownian suspensions
 P. Szymczak and B. Cichocki
 pp. 3329-3346

 Comment on "Stiffness in stochastic 
 chemically reacting systems: The
 implicit tau-leaping method" [J. Chem. 
 Phys. 119, 12784 (2003)]
 Katrien De Cock, Xueying Zhang,
 Monica F. Bugallo, and Petar M. Djuri
 pp. 3347-3348

 Erratum: "Collective molecular rotation in D2O" 
 [J. Chem. Phys. 117, 9374 (2002)]
 David P. Shelton
 p. 3349