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