The Journal of Chemical Physics, 2004, V 121, N 9, 1 September.

Quantum amplifier: Measurement
with entangled spins
Jae-Seung Lee and A. K. Khitrin
pp. 3949-3951

 Calculation of current densities
using gauge-including atomic orbitals
Jonas Juselius, Dage Sundholm, and Jurgen Gauss
pp. 3952-3963

 Simple minimum principle to derive
a quantum-mechanical/ molecular-mechanical method
Koji Yasuda and Daisuke Yamaki
pp. 3964-3972

 Quantum corrections to classical 
time-correlation functions: Hydrogen
bonding and anharmonic floppy modes
Rafael Ramirez, Telesforo Lopez-Ciudad, 
Padma Kumar P, and Dominik Marx
pp. 3973-3983

 Path integral approach to Brownian
motion driven with an ac force
L. Y. Chen and P. L. Nash
pp. 3984-3988

 A quantum chemical approach to the
 free energy calculations in condensed
 systems: The QM/MM method combined 
with the theory of energy representation
Hideaki Takahashi, Nobuyuki Matubayasi,
Masaru Nakahara, and Tomoshige Nitta
pp. 3989-3999

 A field theoretical approach to calculate
electronic Born-Oppenheimer coupling terms
T. Vertesi, A. Vibok, G. J. Halasz, and M. Baer
pp. 4000-4013

Theoretical study of the electronic states
of Nb4, Nb5 clusters and their anions (Nb4-,Nb5-)
D. Majumdar and K. Balasubramanian
pp. 4014-4032

 Potential energy constrained molecular
dynamics simulations
Arnaldo Rapallo
pp. 4033-4042

 A quasidegenerate formulation of the second 
 n-electron valence state perturbation
 theory approach
Celestino Angeli, Stefano Borini, Mirko Cestari, 
and Renzo Cimiraglia
pp. 4043-4049

 New recurrence relations for the rapid 
evaluation of electron repulsion integrals
based on the accompanying coordinate
expansion formula
Masato Kobayashi and Hiromi Nakai
pp. 4050-4058

 Efficient formulation of the stochastic 
simulation algorithm for chemically reacting systems
Yang Cao, Hong Li, and Linda Petzold
pp. 4059-4067

 The extended Perdew-Burke-Ernzerhof
functional with improved accuracy for thermodynamic
and electronic properties of molecular systems
Xin Xu and William A. Goddard III
pp. 4068-4082

 Linear response time-dependent density
functional theory for van der Waals
coefficients
X. Chu and A. Dalgarno
pp. 4083-4088

 Demonstration of the combination of 
slice imaging and Rydberg tagging 
for studies of photodissociation dynamics
H. A. Cruse and T. P. Softley
pp. 4089-4096

 Multipole-bound states of succinonitrile
and other dicarbonitriles
Thomas Sommerfeld
pp. 4097-4104

 Quantum and classical studies of 
vibrational motion of CH on a 
global potential energy surface 
obtained from a novel ab initio 
direct dynamics approach
Alex Brown, Anne B. McCoy, 
Bastiaan J. Braams, Zhong Jin, 
and Joel M. Bowman
pp. 4105-4116

 Calculation of the transport 
properties of carbon dioxide. 
III. Volume viscosity, depolarized 
Rayleigh scattering, and nuclear 
spin relaxation
Steffen Bock, Eckard Bich, 
Eckhard Vogel, Alan S. Dickinson, 
and Velisa Vesovic
pp. 4117-4122

 Theoretical studies on the 
electronic structure of Ti8C12 isomers
Ke Deng, Wenhui Duan, and Binglin Gu
pp. 4123-4126

 Multiconfigurational second- perturbation
study of the decomposition of 
the radical anion of nitromethane
Juan F. Arenas, Juan C. Otero, 
Daniel Pelaez, Juan Soto, and 
Luis Serrano-Andres
pp. 4127-4132

 Intense-field modulation of NO2 
multiphoton dissociation dynamics
T. W. Schmidt, R. B. Lopez-Martens,
and G. Roberts
pp. 4133-4142

 Electron propagator theory calculations
 of molecular photoionization cross 
sections: The first-row hydrides
G. M. Seabra, I. G. Kaplan, 
V. G. Zakrzewski, and J. V. Ortiz
pp. 4143-4155

 An ab initio potential energy 
surface and vibrational states of MgH2(1 1A)
Hui Li, Daiqian Xie, and Hua Guo
pp. 4156-4163

 New electronic spectra of the 
HCCl and DCCl A- vibronic bands
Chia-Shih Lin, Ying-En Chen, 
and Bor-Chen Chang
pp. 4164-4170

 Quadrupole and octupole polarizabilities
for the ground states of lithiumlike 
systems from Z = 3 to 20
Chao Chen and Zhi-Wen Wang
pp. 4171-4174

 Hydrogen loss from nucleobase nitrogens
upon electron attachment to isolated
DNA and RNA nucleotide anions
Bo Liu, Preben Hvelplund, Steen Brondsted
Nielsen, and Shigeo Tomita
pp. 4175-4179

 Interaction potentials and rovibrational
spectroscopy of HeN-OCS complexes
F. Paesani and K. B. Whaley
pp. 4180-4192

 Low-temperature nucleation in a kinetic
Ising model under different stochastic
dynamics with local energy barriers
Gloria M. Buendia, Per Arne Rikvold, 
Kyungwha Park, and M. A. Novotny
pp. 4193-4202

 The behavior of fluids near solutes:
A density functional theory and
computer simulation study
Govardhan Reddy and Arun Yethiraj
pp. 4203-4209

 Density functional theory for 
semiflexible and cyclic polyatomic fluids
Dapeng Cao and Jianzhong Wu
pp. 4210-4220

 Phase-stabilized two-dimensional
electronic spectroscopy
Tobias Brixner, Toma Manal, 
Igor V. Stiopkin, and Graham R. Fleming
pp. 4221-4236

 On the mechanism of reorientationa
and structural relaxation in supercooled
liquids: The role of b dynamics and cooperativity
Joohyun Kim and T. Keyes
pp. 4237-4245

 Dynamical density functional theory
and its application to spinodal decomposition
A. J. Archer and R. Evans
pp. 4246-4254

 Shape and motility of a model cell: 
A computational study
S. V. M. Satyanarayana and A. Baumgaertner
pp. 4255-4265

 Na-montmorillonite hydrates under
ethane rich reservoirs: NPzzT and µPzzT simulations
G. Odriozola, J. F. Aguilar, and J. Lopez-Lemus
pp. 4266-4275

 A model for the phase stability of arbitrary
nanoparticles as a function of size and shape
A. S. Barnard and P. Zapol
pp. 4276-4283

 Low-energy electron scattering cross section
for the production of CO within solid films
of carbon dioxide
M. C. Deschamps, M. Michaud, and L. Sanche
pp. 4284-4291

 Molecular dynamics simulation of optically
trapped colloidal particles at an
oil-water interface
Jizhong Sun and T. Stirner
pp. 4292-4296

 A vibronic approach to the band-filling and
temperature-dependent metal-insulator transition
Vincent Robert
pp. 4297-4301

 Ionic effect on combing of single DNA
molecules and observation of their 
force-induced melting by fluorescence microscopy
Yu-Ying Liu, Peng-Ye Wang, Shuo-Xing Dou,
Wei-Chi Wang, Ping Xie, Hua-Wei Yin, 
Xing-Dong Zhang, and Xu Guang Xi
pp. 4302-4309

 Local-field effects on the spontaneous
emission rate of CdTe and CdSe quantum 
dots in dielectric media
Sander F. Wuister, Celso de Mello Donega,
and Andries Meijerink
pp. 4310-4315

 Field theoretical approach to
electrochemical deposition
H. A. Taroco and A. L. Mota
pp. 4316-4322

 Large-scale molecular dynamics simulations
of alkanethiol self-assembled monolayers
Satyavani Vemparala, Bijaya B. Karki,
Rajiv K. Kalia, Aiichiro Nakano, 
and Priya Vashishta
pp. 4323-4330

 Ammonia adsorption on and diffusion
into thin ice films grown on Pt(111)
T. Takaoka, M. Inamura, S. Yanagimachi, 
I. Kusunoki, and T. Komeda
pp. 4331-4338

 Evidence from first principles
calculations for a bent CO2 intermediate
in the oxidation of carbon monoxide
on the Cu (110) surface
S. Y. Liem and J. H. R. Clarke
pp. 4339-4345

 Solvent-driven dewetting and rim instability
Sarng H. Lee, Pil J. Yoo, S. Joon Kwon,
 and Hong H. Lee
pp. 4346-4351

 Lattice-gas modeling of CO adlayers on Pd(100)
Da-Jiang Liu
pp. 4352-4357

Disjoining pressure measurements using a
microfabricated groove for a molecularly
thin polymer liquid film on a solid surface
Kenji Fukuzawa, Jun Kawamura, Takanori Deguchi,
Hedong Zhang, and Yasunaga Mitsuya
pp. 4358-4363

 Cranklike conformational transitions in polyethylene
B. Nigro, D. Di Stefano, A. Rassu, and G. J. Moro
pp. 4364-4376

 Double proton transfer in the isolated and
DNA-embedded guanine-cytosine base pair
Vincent Zoete and Markus Meuwly
pp. 4377-4388

 Geometry, dipole moment, polarizability 
and first hyperpolarizability of polymethineimine:
An assessment of electron correlation contributions
Denis Jacquemin, Jean-Marie Andre, and Eric A. Perpete
pp. 4389-4396

 Field-induced alignment of a smectic-A phase:
A time-resolved x-ray diffraction investigation
W. Bras, J. W. Emsley, Y. K. Levine, 
G. R. Luckhurst, J. M. Seddon, and B. A. Timimi
pp. 4397-4413

 Capillary bridging and long-range attractive 
forces in a mean-field approach
D. Andrienko, P. Patricio, and O. I. Vinogradova
pp. 4414-4423

 Counterion associative behavior with
flexible polyelectrolytes
Vivek M. Prabhu, Eric J. Amis, 
Dobrin P. Bossev, and Nicholas Rosov
pp. 4424-4429

 Nematic-amorphous polymer interfaces
in the presence of a compatibilizer
M. Hamm, G. Goldbeck-Wood, J. G. E. M. Fraaije,
and A. V. Zvelindovsky
pp. 4430-4440

 Publisher's Note: "Tail molecule dependence
 of thiolate adsorption on Au(111) surface:
Theoretical study" [J. Chem. Phys. 121, 970 (2004)]
Shin'ichi Higai, Jun Nara, and Takahisa Ohno
p. 4441