The Journal of Chemical Physics, 2004, V 120, N 4, January 22.
COMMUNICATIONS
TE Scaling of the memory function and Brownian motion
AU G.R.Kneller and G.Sutmann
PP 1667-1669
ARTICLES
Theoretical Methods and Algorithms
TE Sigma-pi separation of the electron localization function and
aromaticity
AU J.C.Santos, W.Tiznado, R.Contreras, and P.Fuentealba
PP 1670-1673
TE A global investigation of excited state surfaces within
time-dependent density-functional response theory
AU M.Wanko, M.Garavelli, F.Bernardi, T.A.Niehaus, T.Frauenheim,
and M.Elstner
PP 1674-1692
TE Size extensive modification of local multireference
configuration interaction
AU Arun Venkatnathan, Andrew B.Szilva, Derek Walter,
Robert J.Gdanitz, and Emily A.Carter
PP 1693-1704
TE Mapping the interaction energy surfaces of cyclic alkanes:
Evaluating the transferability of an ab initio based potential
model
AU Jukka-Pekka Jalkanen, Tapani A.Pakkanen, and Richard L.Rowley
PP 1705-1714
TE New coupled-cluster methods with singles, doubles, and
noniterative triples for high accuracy calculations of excited
electronic states
AU Karol Kowalski and Piotr Piecuch
PP 1715-1738
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE Energy transfer in Li(4p)+(Ar,H_{2},CH_{4}) collisions
AU Brian C.Hattaway, Solomon Bililign, Lionel Uhl, Vincent Ledentu,
and Gwang-Hi Jeung
PP 1739-1745
TE Resonances in three-dimensional H+HLi scattering: A
time-dependent wave packet dynamical study
AU R.Padmanaban and S.Mahapatra
PP 1746-1755
TE Vacuum ultraviolet-infrared photo-induced Rydberg ionization
spectroscopy: C-H stretching frequencies for trans-2-butene and
trichloroethene cations
AU H.K.Woo, P.Wang, K.-C.Lau, X.Xing, and C.Y.Ng
PP 1756-1760
TE Ionization from a double bond: Rovibronic photoionization
dynamics of ethylene, large amplitude torsional motion and
vibronic coupling in the ground state of C_{2}H_{4}^{+}
AU S.Willitsch, U.Hollenstein, and F.Merkt
PP 1761-1774
TE Double ionization of fluorinated benzenes: Hole localization and
delocalization effects
AU Cristian Villani and Francesco Tarantelli
PP 1775-1791
TE Reaction dynamics of Cl+CH_{3}SH: Rotational and vibrational
distributions of HCl probed with time-resolved Fourier-transform
spectroscopy
AU Shin-Shin Cheng, Yu-Jong Wu, and Yuan-Pern Lee
PP 1792-1800
TE Isotopic effect on the cage-induced quenching of OH(A)/OD(A)
inside small argon clusters
AU A.Kanaev, L.Museur, F.Edery, T.Laarmann, and T.Moeller
PP 1801-1805
TE Electron-spin polarization of photoions produced through
photoionization from the laser-excited triplet state of Sr
AU Nobuaki Yonekura, Takashi Nakajima, Yukari Matsuo,
Tohru Kobayashi, and Yoshimitsu Fukuyama
PP 1806-1812
TE On symmetry breaking in BNB: Real or artifactual?
AU Apostolos Kalemos, Thom H.Dunning, Jr., and Aristides Mavridis
PP 1813-1819
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE The mutual diffusion coefficient for (meth)acrylate monomers as
determined with a nuclear microprobe
AU Christian M.Leewis, Peter H.A.Mutsaers, Arthur M.de Jong,
Leo J.van IJzendoorn, Martien J.A.de Voigt, Min Q.Ren,
Frank Watt, and Dirk J.Broer
PP 1820-1825
TE Molecular dynamics study of atomic transport properties in
rapidly cooling liquid copper
AU F.F.Chen, H.F.Zhang, F.X.Qin, and Z.Q.Hu
PP 1826-1831
TE Orientational order in binary mixtures of hard Gaussian overlap
molecules
AU Xin Zhou, Hu Chen, and Mitsumasa Iwamoto
PP 1832-1836
TE Precipitate pattern formation in fluctuating media
AU Ferenc Izsak and Istvan Lagzi
PP 1837-1840
TE Conformation of p-terphenyl under hydrostatic pressure
AU K.K.Zhuravlev and M.D.McCluskey
PP 1841-1845
TE Statistico-probabilistic approach to taking account of the vapor
depletion in the kinetics of homogeneous nucleation: A
free-molecular regime of droplet growth
AU A.P.Grinin, F.M.Kuni, and Y.S.Djikaev
PP 1846-1854
TE Structure of ionic liquids of 1-alkyl-3-methylimidazolium
cations: A systematic computer simulation study
AU Sergio M.Urahata and Mauro C.C.Ribeiro
PP 1855-1863
TE On the ordering of the first two excited electronic states in
all-trans linear polyenes
AU J.Catalan and J.L.G.de Paz
PP 1864-1872
TE Multipole induced splitting of metal-cage vibrations in
crystalline endohedral D_{2d}-M_{2}@C_{84} dimetallofullerenes
AU M.Krause, V.N.Popov, M.Inakuma, N.Tagmatarchis, H.Shinohara,
P.Georgi, L.Dunsch, and H.Kuzmany
PP 1873-1880
TE Probing lattice distortions in mixed CH_{3}I_{1-c}Br_{c} by
methyl rotational tunneling
AU M.Prager
PP 1881-1885
TE Near neighbor approximation in nuclear magnetic resonance
AU Shanmin Zhang
PP 1886-1891
Surfaces, Interfaces, and Materials
TE Monte Carlo simulation methodology of the ghost interface theory
for the planar surface tension
AU Michael P.Moody and Phil Attard
PP 1892-1904
TE Resonant Raman spectroscopy of PAH-Os self-assembled multilayers
AU N.Tognalli, A.Fainstein, C.Bonazzola, and E.Calvo
PP 1905-1911
TE Anomalous dielectric relaxation of water molecules at the
surface of an aqueous micelle
AU Subrata Pal, Sundaram Balasubramanian, and Biman Bagchi
PP 1912-1920
TE Solvation force for long-ranged wall-fluid potentials
AU A.Maciolek, A.Drzewinski, and P.Bryk
PP 1921-1934
TE Molecular dynamics simulation of the coalescence of
nanometer-sized water droplets in n-heptane
AU Liyan Zhao and Phillip Choi
PP 1935-1942
TE Molecular dynamics simulation of water in a contact with an iron
pyrite FeS_{2} surface
AU Michael R.Philpott, Igor Yu Goliney, and Ting Ting Lin
PP 1943-1950
TE Molecular dynamic simulation of the hydration and diffusion of
chloride ions from bulk water to polypyrrole matrix
AU J.J.Lopez Cascales and T.F.Otero
PP 1951-1957
TE Water in nanopores. I. Coexistence curves from Gibbs ensemble
Monte Carlo simulations
AU I.Brovchenko, A.Geiger, and A.Oleinikova
PP 1958-1972
TE Interfacial tension and wetting in colloid-polymer mixtures
AU D.G.A.L.Aarts, R.P.A.Dullens, H.N.W.Lekkerkerker, D.Bonn, and
R.van Roij
PP 1973-1980
TE Modeling liquid crystal bilayer structures with minimal surfaces
AU J.D.Enlow, R.L.Enlow, K.M.McGrath, and M.W.Tate
PP 1981-1989
TE Optical control over photoconductivity in polyferrocenylsilane
films
AU M.Tzolov, P.W.Cyr, E.H.Sargent, and I.Manners
PP 1990-1996
TE Squeezing wetting and nonwetting liquids
AU V.N.Samoilov and B.N.J.Persson
PP 1997-2004
Polymers, Biopolymers, and Complex Systems
TE The van der Waals interaction between protein molecules in an
electrolyte solution
AU Xueyu Song and Xuefeng Zhao
PP 2005-2009
TE Thermodynamics of soft anisotropic interfaces
AU Alejandro D.Rey
PP 2010-2019
TE Effect of pressure on dynamic heterogeneity in dendrimeric alkyd
resin
AU M.Paluch, M.Sekula, S.Maslanka, K.Manczyk, W.W.Sulkowski,
S.J.Rzoska, and J.Ziolo
PP 2020-2025
TE Coarse grained models for flexible liquid crystals:
Parameterization of the bond fluctuation model
AU Martin A.Bates
PP 2026-2033
TE Polymers confined between two parallel plane walls
AU Hsiao-Ping Hsu and Peter Grassberger
PP 2034-2041
TE Theoretical study of the second-order nonlinear optical
properties of [N]helicenes and [N]phenylenes
AU Edith Botek, Benoit Champagne, Mohamed Turki, and
Jean-Marie Andre
PP 2042-2048
TE Box length search algorithm for molecular simulation of systems
containing periodic structures
AU A.J.Schultz, C.K.Hall, and J.Genzer
PP 2049-2055
TE Continuum description of ionic and dielectric shielding for
molecular-dynamics simulations of proteins in solution
AU Bernhard Egwolf and Paul Tavan
PP 2056-2068
LETTERS TO THE EDITOR
Notes
TE Geometric structure and electronic properties of neutral and
anionic Fe_{2}C_{3} and Fe_{2}C_{4} clusters, as obtained by
density-functional calculations
AU E.G.Noya, R.C.Longo, and L.J.Gallego
PP 2069-2070