The Journal of Chemical Physics, 2002, V 117, N 14, October 8.
ARTICLES
Theoretical Methods and Algorithms
TE Self-consistent nonperturbative theory: Application to a
two-dimensional square-well system
AU J.Serrano-Illan, L.Mederos, G.Navascues, and E.Velasco
PP 6389-6401
TE Electron excitation energies using a consistent third-order
propagator approach: Comparison with full configuration
interaction and coupled cluster results
AU A.B.Trofimov, G.Stelter, and J.Schirmer
PP 6402-6410
TE Perturbation theory of the electron correlation cusp based on a
partitioning of the electron-electron interaction into long- and
short-range components
AU Ioana Sirbu and Harry F.King
PP 6411-6416
TE Ab initio study of magnetochiral birefringence
AU Sonia Coriani, Magdalena Pecul, Antonio Rizzo, Poul Jorgensen,
and Michal Jaszunski
PP 6417-6428
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE Quantum optimal control of unbounded molecular dynamics:
Application to NaI predissociation
AU Kazuyuki Nakagami, Yukiyoshi Ohtsuki, and Yuichi Fujimura
PP 6429-6438
TE Ab initio predictions of the spectroscopic parameters of the
silicon halomethylidyne (Si==C-X; X=F,Cl,Br) free radicals
AU Corey J.Evans and Dennis J.Clouthier
PP 6439-6445
TE Spectroscopic detection of the SiCCl free radical
AU Tony C.Smith, Corey J.Evans, and Dennis J.Clouthier
PP 6446-6449
TE Electron-impact ionization of the methyl halides
AU R.Rejoub, B.G.Lindsay, and R.F.Stebbings
PP 6450-6454
TE State-to-state differential cross sections for spin-multiplet-changing
collisions of NO(X ^{2}Pi_{1/2}) with argon
AU Michael S.Elioff and David W.Chandler
PP 6455-6462
TE Discrimination of hydrogen-bonded complexes with axial chirality
AU Ibon Alkorta and Jose Elguero
PP 6463-6468
TE Time-dependent wave packet dynamics of the H+HLi reactive
scattering
AU R.Padmanaban and S.Mahapatra
PP 6469-6477
TE Exploring the OH+CO-->H+CO_{2} potential surface via
dissociative photodetachment of (HOCO)^{-}
AU Todd G.Clements, Robert E.Continetti, and Joseph S.Francisco
PP 6478-6488
TE Symmetry analysis of internal rotation
AU Viktor Szalay, Attila G.Csaszar, and Maria L.Senent
PP 6489-6492
TE Gas phase infrared spectroscopy of cluster anions as a function
of size: The effect of solvation on hydrogen-bonding in
Br^{-}-(HBr)_{1,2,3} clusters
AU Nicholas L.Pivonka, Cristina Kaposta, Gert von Helden,
Gerard Meijer, Ludger Woeste, Daniel M.Neumark, and Knut R.Asmis
PP 6493-6499
TE Femtosecond velocity map imaging of concerted photodynamics in
CF_{2}I_{2}
AU Wim G.Roeterdink and Maurice H.M.Janssen
PP 6500-6510
TE Disclosing rovibrational couplings and overlaps from
irregularities in action spectra: Photodissociation of the
4nu_{CH} rovibrational manifold of C_{2}H_{2}
AU Xinzhi Sheng, Yuval Ganot, Salman Rosenwaks, and Ilana Bar
PP 6511-6518
TE Theoretical investigation on the N+SF_{2}-->NS^{+} reaction
involving resonance-enhanced multiphoton ionization process
AU Ya-Jun Liu, Ming-Bao Huang, Xiao-Guo Zhou, Quan-Xin Li, and
Shu-Qin Yu
PP 6519-6523
TE A core-level photoionization study of furan
AU E.E.Rennie, U.Hergenhahn, O.Kugeler, A.Ruedel, S.Marburger, and
A.M.Bradshaw
PP 6524-6532
TE Ionized and excited states of ferrocene: Symmetry adapted
cluster-configuration-interaction study
AU Kazuya Ishimura, Masahiko Hada, and Hiroshi Nakatsuji
PP 6533-6537
TE High-resolution infrared spectra of the C-H asymmetric stretch
vibration of jet-cooled methoxy radical (CH_{3}O)
AU Jia-xiang Han, Yu.G.Utkin, Hong-bing Chen, L.A.Burns, and R.F.Curl
PP 6538-6545
TE Nonresonant two-photon mass analyzed threshold ionization and
zero kinetic energy photoelectron investigation of the X~
^{2}B_{1} ground state of CH_{2}CO^{+} and CD_{2}CO^{+}
AU Shiliang Wang, Yujun Shi, Zygmunt J.Jakubek, Michael Barnett,
Benoit Simard, Klaus Mueller-Dethlefs, Ching-Ping Liu, and Yuan-Pern Lee
PP 6546-6555
TE Semiclassical calculation of collisional dissociation cross
sections for N+N_{2}
AU Catherine Tully and Robert E.Johnson
PP 6556-6561
TE Rovibrational structure of the Ar-CO complex based on a novel
three-dimensional ab initio potential
AU Thomas Bondo Pedersen, Javier Lopez Cacheiro, Berta Fernandez,
and Henrik Koch
PP 6562-6572
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE The development of effective classical potentials and the
quantum statistical mechanical second virial coefficient of water
AU Gregory K.Schenter
PP 6573-6581
TE Dynamics in supercooled polyalcohols: Primary and secondary relaxation
AU A.Does, M.Paluch, H.Sillescu, and G.Hinze
PP 6582-6589
TE Perturbed hard-body fluid analysis of the global effects of
solvation on conformational thermodynamics
AU Brian L.McClain and Dor Ben-Amotz
PP 6590-6598
TE Rotational energy relaxation of polar diatomic molecules diluted
in simple liquids
AU A.Padilla, J.Perez, and A.Calvo Hernandez
PP 6599-6606
TE Denucleation rates during Ostwald ripening: Distribution
kinetics of unstable clusters
AU Giridhar Madras and Benjamin J.McCoy
PP 6607-6613
TE Femtosecond time-resolved excited state dynamics of cyanine
encapsulated by beta-cyclodextrin
AU Wentao Huang, Shufeng Wang, Hong Yang, Qihuang Gong,
Guangzhi Xu, Junfeng Xiang, Ciping Chen, and Wenpeng Yan
PP 6614-6617
TE A Monte Carlo study of spectroscopy in nanoconfined solvents
AU Ward H.Thompson
PP 6618-6628
TE Molecular dynamics simulation of liquid N_{2}O_{4}<_->2NO_{2} by
orientation-sensitive pairwise potential. II. Vibrational
dephasing of the dissociation mode
AU Toshiko Kato
PP 6629-6636
TE Computer simulations of the dynamics of doubly occupied N_{2}
clathrate hydrates
AU E.P.van Klaveren, J.P.J.Michels, J.A.Schouten, D.D.Klug, and
J.S.Tse
PP 6637-6645
TE Germing surfaces in reaction-diffusion systems? Experiments and
a hypothesis
AU Peter Hantz
PP 6646-6654
TE Isomers of S_{2}O: Infrared absorption spectra of cyclic S_{2}O
in solid Ar
AU Wen-Jui Lo, Yu-Jong Wu, and Yuan-Pern Lee
PP 6655-6661
Surfaces, Interfaces, and Materials
TE Influence of temperature on percolation in a simple model of
flexible chains adsorption
AU Grzegorz Kondrat
PP 6662-6666
TE Vacuum ultraviolet surface photochemistry of water adsorbed on
graphite
AU Simeon R.Baggott, Kurt W.Kolasinski, Luis M.A.Perdiga~o,
Damien Riedel, Quanmin Guo, and Richard E.Palmer
PP 6667-6672
TE Signatures of site-specific reaction of H_{2} on Cu(100)
AU M.F.Somers, D.A.McCormack, G.J.Kroes, R.A.Olsen, E.J.Baerends, and R.C.Mowrey
PP 6673-6687
TE Nanoscopic interchain aggregate domain formation in conjugated polymer films
studied by third harmonic generation near-field scanning optical microscopy
AU Richard D.Schaller, Preston T.Snee, Justin C.Johnson,
Lynn F.Lee, Kevin R.Wilson, Louis H.Haber, Richard J.Saykally,
Thuc-Quyen Nguyen, and Benjamin J.Schwartz
PP 6688-6698
TE Quasiwetting and morphological phase transitions in confined
far-from-equilibrium magnetic thin films
AU Julian Candia and Ezequiel V.Albano
PP 6699-6704
TE Homogeneous nucleation of droplets from a supersaturated vapor phase
AU Michael P.Moody and Phil Attard
PP 6705-6714
TE Interdiffusion in core-shell and quantum-dot-quantum-well
nanocrystals
AU T.Stirner
PP 6715-6720
TE Surface control of optical properties in silicon nanoclusters
AU Aaron Puzder, A.J.Williamson, Jeffrey C.Grossman, and
Giulia Galli
PP 6721-6729
TE Compression and caging of CD_{3}Cl by H_{2}O layers on Ru(001)
AU Y.Lilach and M.Asscher
PP 6730-6736
TE Atomic and molecular adsorption on Rh(111)
AU M.Mavrikakis, J.Rempel, J.Greeley, L.B.Hansen, and J.K.Norskov
PP 6737-6744
TE Exactly solvable Ogston model of gel electrophoresis. IX.
Generalizing the lattice model to treat high field intensities
AU Michel G.Gauthier and Gary W.Slater
PP 6745-6756
TE Effects of quenched impurities on surface diffusion, spreading,
and ordering of O/W(110)
AU P.Nikunen, I.Vattulainen, and T.Ala-Nissila
PP 6757-6765
TE Coupled ion-interface dynamics and ion transfer across the
interface of two immiscible liquids
AU A.A.Kornyshev, A.M.Kuznetsov, and M.Urbakh
PP 6766-6779
TE Anomalous inverse absorption features in the far-infrared RAIRS
spectra of SnCl_{4} on thin-film SnO_{2} surfaces
AU M.J.Pilling, S.Le Vent, P.Gardner, A.Awaluddin, P.L.Wincott,
M.E.Pemble, and M.Surman
PP 6780-6788
TE Universal shape ratios for polymers grafted at a flat surface
AU Maria Serena Causo
PP 6789-6793
TE Green emission from poly(fluorene)s: The role of oxidation
AU Egbert Zojer, Alexander Pogantsch, Emmanuelle Hennebicq,
David Beljonne, Jean-Luc Bredas, Patricia Scandiucci de Freitas,
Ullrich Scherf, and Emil J.W.List
PP 6794-6802
Polymers, Biopolymers, and Complex Systems
TE Statistical thermodynamics of lattice polymer fluid
AU Xiaoyi Li and Delu Zhao
PP 6803-6809
TE Dynamics and rheology of inhomogeneous polymeric fluids: A
complex Langevin approach
AU Glenn H.Fredrickson
PP 6810-6820
TE Inter-peptide interaction and delocalization of amide I
vibrational excitons in myoglobin and flavodoxin
AU Jun-Ho Choi, Sihyun Ham, and Minhaeng Cho
PP 6821-6832
TE Peptide conformational heterogeneity revealed from nonlinear
vibrational spectroscopy and molecular-dynamics simulations
AU Sander Woutersen, Rolf Pfister, Peter Hamm, Yuguang Mu,
Daniel S.Kosov, and Gerhard Stock
PP 6833-6840
TE Equilibrium polymerization of cyclic carbonate oligomers. III.
Chain branching and the gel transition
AU P.Ballone and R.O.Jones
PP 6841-6851
TE Polymer nanodroplets adsorbed on nanocylinders: A Monte Carlo
study
AU Andrey Milchev and Kurt Binder
PP 6852-6862
TE Brownian dynamics studies on DNA gel electrophoresis. I.
Numerical method and "periodic" behavior of elongation-contraction motions
AU Ryuzo Azuma and Hajime Takayama
PP 6863-6872
TE Brownian dynamics studies on DNA gel electrophoresis. II.
"Defect" dynamics in the elongation-contraction motion
AU Ryuzo Azuma
PP 6873-6879
LETTERS TO THE EDITOR
Errata
TE Erratum: "Methylation effects in state resolved quenching of
highly vibrationally excited azabenzenes (E_{vib}38 500
cm^{-1}). I. Collisions with water" [J. Chem. Phys., v.115, 6990 (2001)]
AU Michael S.Elioff, Maosen Fang, and Amy S.Mullin
PP 6880
TE Erratum: "The potential energy curve and dipole polarizability
tensor of mercury dimer" [J. Chem. Phys., v.115, 7401 (2001)]
AU Peter Schwerdtfeger, Ralf Wesendrup, Gloria E.Moyano,
Andrzej J.Sadlej, Joern Greif, and Friedrich Hensel
PP 6881
TE Corrected Article: "The electronic influence of a third body on
resonance energy transfer" [J. Chem. Phys., v.116, 6701 (2002)]
AU Gareth J.Daniels and David L.Andrews
PP 6882-6893