The Journal of Chemical Physics, 2003, V 119, N 9, September 1.
ARTICLES
Theoretical Methods and Algorithms
TE Density fitting in second-order linear-r_{12} Moller-Plesset
perturbation theory
AU Frederick R.Manby
PP 4607-4613
TE Unified analytical treatment of multicenter multielectron
integrals of central and noncentral interaction potentials over
Slater orbitals using Psi^{alpha}-ETOs
AU I.I.Guseinov
PP 4614-4619
TE Distributed dispersion: A new approach
AU Greg J.Williams and Anthony J.Stone
PP 4620-4628
TE Quantum dynamical correlations: Effective potential analytic
continuation approach
AU Atsushi Horikoshi and Kenichi Kinugawa
PP 4629-4640
TE Numerical implementation of some reweighted path integral methods
AU Cristian Predescu, Dubravko Sabo, and J.D.Doll
PP 4641-4654
TE A new approach to density matrix functional theory
AU Christian Kollmar and Bernd A.Hes
PP 4655-4661
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE Measurement of the cross section for H+D_{2}-->HD(v'=3,j'=0)+D
as a function of angle and energy
AU James D.Ayers, Andrew E.Pomerantz, Felix Fernandez-Alonso,
Florian Ausfelder, Brian D.Bean, and Richard N.Zare
PP 4662-4670
TE Observation of a HI leaving group following ultraviolet
photolysis of CH_{2}I_{2} in water and an ab initio
investigation of the O-H insertion/HI elimination reactions of
the CH_{2}I-I isopolyhalomethane species with H_{2}O and 2H_{2}O
AU Yun-Liang Li, Cunyuan Zhao, Wai Ming Kwok, Xiangguo Guan,
Peng Zuo, and David Lee Phillips
PP 4671-4681
TE Theoretical study of the potential stability of the peroxo
nitrate radical
AU Wolfgang Eisfeld and Keiji Morokuma
PP 4682-4688
TE Dynamics calculations for the LiH+H<-_>Li+H_{2} reactions using
interpolations of accurate ab initio potential energy surfaces
AU Kyoung Hoon Kim, Yoon Sup Lee, Toshimasa Ishida, and
Gwang-Hi Jeung
PP 4689-4693
TE An ab initio, analytically fitted, global potential energy
surface for the ground electronic state of He_{3}^{+}
AU Daniel T.Chang and Gregory I.Gellene
PP 4694-4699
TE Isotope dependence of the O+O_{2} exchange reaction: Experiment
and theory
AU Paul Fleurat-Lessard, S.Yu.Grebenshchikov, Reinhard Schinke,
Christof Janssen, and Dieter Krankowsky
PP 4700-4712
TE Size-dependent dynamics of a quantum solvent: Laser spectroscopy
of HCN-(HD)_{n} grown in helium nanodroplets
AU D.T.Moore and R.E.Miller
PP 4713-4721
TE Charge and bonding redistribution in octatetraene driven by a
strong laser field: Time-dependent Hartree-Fock simulation
AU Masato Suzuki and Shaul Mukamel
PP 4722-4730
TE Infrared spectra of CH_{3}F(ortho-H_{2})_{n} clusters in solid
parahydrogen
AU Kazuki Yoshioka and David T.Anderson
PP 4731-4742
TE The 4 ^{3}Sigma^{+} state of NaK: Potential energy curve and
hyperfine structure
AU P.Burns, L.Sibbach-Morgus, A.D.Wilkins, F.Halpern, L.Clarke,
R.D.Miles, Li Li, A.P.Hickman, and J.Huennekens
PP 4743-4754
TE Control of bimolecular reactions: Bond-selected reaction of
vibrationally excited CH_{3}D with Cl (^{2}P_{3/2})
AU Sangwoon Yoon, Robert J.Holiday, and F.Fleming Crim
PP 4755-4761
TE Benzene-argon triplet intermolecular potential energy surface
AU Javier Lopez Cacheiro, Berta Fernandez, Henrik Koch,
Jan Makarewicz, Kasper Hald, and Poul Jorgensen
PP 4762-4767
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Rotational dynamics of nondipolar probes in ethanols: How does
the strength of the solute-solvent hydrogen bond impede
molecular rotation?
AU G.B.Dutt and T.K.Ghanty
PP 4768-4774
TE Calorimetric study of plastically crystalline o- and m-carboranes
AU Osamu Yamamuro, Masayuki Hayashi, Takasuke Matsuo, and
Peter Lunkenheimer
PP 4775-4781
TE Transport properties of dimethyl sulfoxide aqueous solutions
AU Carlos Nieto-Draghi, Josep Bonet Avalos, and Bernard Rousseau
PP 4782-4789
TE An analysis of molecular origin of vibrational energy transfer
from solute to solvent based upon path integral influence
functional theory
AU Taiji Mikami and Susumu Okazaki
PP 4790-4797
TE A mode-coupling theory of diffusion in supercritical fluids
AU S.A.Egorov
PP 4798-4810
TE Mode bifurcation by pouring water into a cup
AU Hiroyuki Kitahata, Akiko Yamada, and Satoshi Nakata
PP 4811-4816
TE Deficiency of the Coulomb-field approximation in the generalized
Born model: An improved formula for Born radii evaluation
AU Tomasz Grycuk
PP 4817-4826
TE Integral equation theory of penetrable sphere fluids: A modified
Verlet bridge function approach
AU Niharendu Choudhury and Swapan K.Ghosh
PP 4827-4832
TE The performance of phase modulated heteronuclear dipolar
decoupling schemes in fast magic-angle-spinning nuclear magnetic
resonance experiments
AU Gaeel De Paeepe, Anne Lesage, and Lyndon Emsley
PP 4833-4841
TE Ion pairing in model electrolytes: A study via three-particle
correlation functions
AU Felipe Jimenez-Angeles, Rene Messina, Christian Holm, and
Marcelo Lozada-Cassou
PP 4842-4856
Surfaces, Interfaces, and Materials
TE Perfluorinated phthalocyanines for optical limiting: Evidence
for the direct correlation between substituent electron
withdrawing character and the nonlinear optical effect
AU Danilo Dini, Guo Ying Yang, and Michael Hanack
PP 4857-4864
TE Energetics, vibrational spectrum, and scanning tunneling
microscopy images for the intermediate in water production
reaction on Pt(111) from density functional calculations
AU G.S.Karlberg, F.E.Olsson, M.Persson, and G.Wahnstroem
PP 4865-4872
TE Effect of compressed CO_{2} on the properties of AOT reverse
micelles studied by spectroscopy and phase behavior
AU Dongxia Liu, Jianling Zhang, Buxing Han, Jiufeng Fan,
Tiancheng Mu, Zhimin Liu, Weize Wu, and Jing Chen
PP 4873-4878
TE Reaction intermediates in the oxidation of methanol on a
Pt(111)-(2x2)O surface
AU Zhengxin Liu, Takeshi Sawada, Noriaki Takagi, Kazuya Watanabe,
and Yoshiyasu Matsumoto
PP 4879-4886
TE The correlation between film thickness and adsorbate line shape
in surface enhanced infrared absorption
AU A.Priebe, M.Sinther, G.Fahsold, and A.Pucci
PP 4887-4890
TE Ultrafast relaxation dynamics of the one-dimensional molecular
chain: The time-resolved spontaneous emission and exciton
coherence
AU Satoshi Tanaka
PP 4891-4904
TE Oxidation of the 3x3 6H-SiC (0001) adatom cluster: A periodic
density functional theory and dynamic rocking beam analysis
AU Xianning Xie, Kian Ping Loh, Nikolai Yakolev, S.W.Yang, and
Ping Wu
PP 4905-4915
TE Collision dynamics of large water clusters on graphite
AU Anna Tomsic, Patrik U.Andersson, Nikola Markovic, and
Jan B.C.Pettersson
PP 4916-4922
TE Current-voltage characteristics of single molecular junction:
Dimensionality of metal contacts
AU Chuan-Kui Wang and Yi Luo
PP 4923-4928
TE Potential model for tetrathiafulvalene based on inelastic
neutron scattering and Raman spectra
AU Gary R.Burns, Frederic Favier, Deborah J.Jones, Jacques Roziere,
and Gordon J.Kearley
PP 4929-4933
TE Ab initio simulation of H_{2}S adsorption on the (100) surface
of pyrite
AU Andras Stirling, Marco Bernasconi, and Michele Parrinello
PP 4934-4939
Polymers, Biopolymers, and Complex Systems
TE Role of supersecondary structural elements in protein G folding
AU Philippe Derreumaux
PP 4940-4944
TE Micelle formation in a dilute solution of block copolymers with
a polyelectrolyte block complexed with oppositely charged linear
chains
AU E.Yu.Kramarenko, A.R.Khokhlov, and P.Reineker
PP 4945-4952
TE New surfactants design for CO_{2} applications: Molecular
dynamics simulations of fluorocarbon-hydrocarbon oligomers
AU Serdal Kirmizialtin, Yusuf Z.Menceloglu, and Canan Baysal
PP 4953-4961
TE Conformational statistics of bent semiflexible polymers
AU Yu Zhou and Gregory S.Chirikjian
PP 4962-4970
TE Many-body interactions and the melting of colloidal crystals
AU J.Dobnikar, Y.Chen, R.Rzehak, and H.H.von Gruenberg
PP 4971-4985
LETTERS TO THE EDITOR
Notes
TE Formation of dipole-bound negative ions in Rydberg atom
collisions: A signature
AU R.Parthasarathy, L.Suess, Y.Liu, and F.B.Dunning
PP 4986-4987
TE Information entropy production in non-Markovian systems
AU Bidhan Chandra Bag
PP 4988-4990