The Journal of Chemical Physics, 2002, V 117, N 13, October 1.
COMMUNICATIONS
TE Electronic confinement of organic molecules in confined spaces:
A spectroscopic study of Zn(phen)_{2}(NO_{3})_{2} loaded MCM-41
AU Lei Z.Zhang, Peng Cheng, and Dai-Zheng Liao
PP 5959-5962
TE Hyper-Rayleigh scattering from silver nanoparticles
AU E.C.Hao, G.C.Schatz, R.C.Johnson, and J.T.Hupp
PP 5963-5966
TE Electron stimulated solvation and reaction of water, ammonia,
and methane in nanoclusters adsorbed on solid Ar substrate
AU Ryutaro Souda
PP 5967-5970
ARTICLES
Theoretical Methods and Algorithms
TE Wavelet formulation of path integral Monte Carlo
AU Art E.Cho, J.D.Doll, and David L.Freeman
PP 5971-5977
TE A geminal model chemistry
AU Vitaly A.Rassolov
PP 5978-5987
TE Semiclassical initial value representation propagation of
vibrational wave functions
AU Temira Sklarz and K.G.Kay
PP 5988-5997
TE Spin-spin coupling tensors by density-functional linear response
theory
AU Perttu Lantto, Juha Vaara, and Trygve Helgaker
PP 5998-6009
TE A density functional study of van der Waals interactions
AU Muneaki Kamiya, Takao Tsuneda, and Kimihiko Hirao
PP 6010-6015
TE Correspondence between configurational temperature and molecular
kinetic temperature thermostats
AU Jerome Delhommelle and Denis J.Evans
PP 6016-6021
TE Extremal path approach to rate constant calculations by the
linearized semiclassical initial value representation
AU Zorka Smedarchina and Antonio Fernandez-Ramos
PP 6022-6031
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE Isotope effects in linear dihydrogen bonded complexes containing LiH
AU Sean A.C.McDowell and Toni S.Forde
PP 6032-6037
TE Photodissociation of CFX==CHCl (X=H,F) at 193 nm by product
translational spectroscopy
AU H.S.Ko, Y.R.Lee, C.C.Chen, L.D.Wang, and S.M.Lin
PP 6038-6046
TE Charge transfer and nonadiabatic dynamics of diatomic anions in clusters
AU Eunseog Cho and Seokmin Shin
PP 6047-6053
TE The observation of large changes in the rotational constants of
glyoxal in superfluid helium droplets upon electronic excitation
AU Nikolas Poertner, J.Peter Toennies, and Andrej F.Vilesov
PP 6054-6060
TE Photoinduced reactions in the Mg^{+}-NH_{n}(CH_{3})_{3-n}
complex ions: Effect of the methyl substitution
AU Wenyue Guo, Haichuan Liu, and Shihe Yang
PP 6061-6070
TE Excited states of beryllium atom from explicitly correlated wave
functions
AU F.J.Galvez, E.Buendia, and A.Sarsa
PP 6071-6082
TE Accurate quantum calculations on three-body collisions in
recombination and collision-induced dissociation. I. Converged
probabilities for the H+Ne_{2} system
AU Gregory A.Parker, Robert B.Walker, Brian K.Kendrick, and Russell T Pack
PP 6083-6102
TE Should bromoform absorb at wavelengths longer than 300 nm?
AU Kirk A.Peterson and Joseph S.Francisco
PP 6103-6107
TE Ultrafast photodissociation of Br_{2}: Laser-generated
high-harmonic soft x-ray probing of the transient photoelectron
spectra and ionization cross sections
AU Lora Nugent-Glandorf, Michael Scheer, David A.Samuels,
Veronica M.Bierbaum, and Stephen R.Leone
PP 6108-6116
TE He^{79}Br_{2} B,v=8<--X,v"=0 excitation spectrum: Ab initio
prediction and spectroscopic manifestation of a linear isomer
AU Alexei A.Buchachenko, Rita Prosmiti, Carlos Cunha,
Gerardo Delgado-Barrio, and Pablo Villarreal
PP 6117-6120
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Electron spin echo envelope modulation theory for high electron
spin systems in weak crystal field
AU Andrei V.Astashkin and Arnold M.Raitsimring
PP 6121-6132
TE Effective pair potentials in charged molecular systems: Water
mediated interactions
AU N.Bagatella-Flores and P.Gonzalez-Mozuelos
PP 6133-6141
TE Optimal pump-dump control and time-frequency resolved
spectroscopy of ground-state wave-packet focusing
AU Zhenwen Shen, Volker Engel, Ruixue Xu, Jixin Cheng, and YiJing Yan
PP 6142-6147
TE Theoretical and experimental studies of CIDNP kinetics in
recombination of radical pairs by the method of switched
external magnetic field. III. Free radicals in homogeneous solution
AU M.V.Fedin, E.G.Bagryanskaya, P.A.Purtov, T.N.Makarov, and H.Paul
PP 6148-6156
TE Interfacial properties deduced from nucleation experiments: A
Cahn-Hilliard analysis
AU Laszlo Granasy, Tamas Pusztai, and Peter F.James
PP 6157-6168
TE Verification of the nucleation theorem for the internally
constrained one-dimensional hard rod fluid
AU Sudeep Punnathanam and David S.Corti
PP 6169-6175
TE H_{2}O-D_{2}O condensation in a supersonic nozzle
AU Christopher H.Heath, Kiril Streletzky, Barbara E.Wyslouzil,
Judith Woelk, and Reinhard Strey
PP 6176-6185
TE Analytical investigations of an electron-water molecule
pseudopotential. II. Development of a new pair potential and
molecular dynamics simulations
AU Laszlo Turi and Daniel Borgis
PP 6186-6195
TE Experimental determination of the site-site radial distribution
functions of supercooled ultrapure bulk water
AU A.Botti, F.Bruni, A.Isopo, M.A.Ricci, and A.K.Soper
PP 6196-6199
TE Intraband relaxation and temperature dependence of the
fluorescence decay time of one-dimensional Frenkel excitons: The
Pauli master equation approach
AU M.Bednarz, V.A.Malyshev, and J.Knoester
PP 6200-6213
TE General theory for pulse propagation in two-photon active media
AU Alexander Baev, Faris Gel'mukhanov, Peter Macak, Yi Luo, and
Hans Agren
PP 6214-6220
TE Vibrational spectroscopy of a harmonic oscillator system
nonlinearly coupled to a heat bath
AU Tsuyoshi Kato and Yoshitaka Tanimura
PP 6221-6234
Surfaces, Interfaces, and Materials
TE Eley-Rideal abstraction of carbon from graphite by hyperthermal
N^{+} ions
AU Z.-W.Deng and R.Souda
PP 6235-6238
TE Reactive and inelastic scattering dynamics of hyperthermal
oxygen atoms on a saturated hydrocarbon surface
AU Jianming Zhang, Donna J.Garton, and Timothy K.Minton
PP 6239-6251
TE Secondary ions produced by 400 eV He^{+} ion impact on N_{2} and
O_{2} thin films at 8 K
AU K.Hiraoka, T.Sato, M.Watanabe, K.Mori, and M.Kimura
PP 6252-6258
TE Adsorption behavior of Lander molecules on Cu(110) studied by
scanning tunneling microscopy
AU M.Schunack, F.Rosei, Y.Naitoh, P.Jiang, A.Gourdon, E.Lagsgaard,
I.Stensgaard, C.Joachim, and F.Besenbacher
PP 6259-6265
TE Ultrathin liquid films under alternating intermolecular
potential fields and capillary force
AU Kahp Y.Suh and Hong H.Lee
PP 6266-6270
TE Grand canonical Monte Carlo simulation of hydration forces
between nonorienting and orienting structureless walls
AU Tomohiro Hayashi, Alexander J.Pertsin, and Michael Grunze
PP 6271-6280
TE Dielectric spectroscopy on the plastically crystalline phase of
cyanocyclohexane
AU C.Tschirwitz, S.Benkhof, T.Blochowicz, and E.Roessler
PP 6281-6288
Polymers, Biopolymers, and Complex Systems
TE Constrained dynamics in supramolecular structures of
poly(p-phenylenes) with ethylene oxide side chains: A combined
dielectric and nuclear magnetic resonance investigation
AU M.Mierzwa, G.Floudas, M.Neidhoefer, R.Graf, H.W.Spiess,
W.H.Meyer, and G.Wegner
PP 6289-6299
TE Comparison of topological properties between end-linked and
statistically cross-linked polymer networks
AU W.Michalke, M.Lang, S.Kreitmeier, and D.Goeritz
PP 6300-6307
TE Penetrability in model colloid-polymer mixtures
AU Matthias Schmidt and Matthias Fuchs
PP 6308-6312
TE The global phase diagram of the Gay-Berne model
AU Enrique de Miguel and Carlos Vega
PP 6313-6322
TE Folding/unfolding kinetics on a semiflexible polymer chain
AU T.Sakaue and K.Yoshikawa
PP 6323-6330
TE Simulation of crystallization of entangled polymer chains
AU Liang Xu, Zhongyong Fan, Hongdong Zhang, and Haishan Bu
PP 6331-6335
TE Shear viscosity of a supercooled polymer melt via nonequilibrium
molecular dynamics simulations
AU F.Varnik and K.Binder
PP 6336-6349
TE Shear-induced structure in polymer blends with viscoelastic
asymmetry
AU E.K.Hobbie, H.S.Jeon, H.Wang, H.Kim, D.J.Stout, and C.C.Han
PP 6350-6359
TE Critical lines and phase coexistence of polymer solutions: A
quantitative comparison between Wertheim's thermodynamic
perturbation theory and computer simulations
AU L.G.MacDowell, P.Virnau, M.Mueller, and K.Binder
PP 6360-6371
TE Sample size autocorrelation analysis of kinetic data: Resolving
reaction path heterogeneity
AU R.Murugan
PP 6372-6377
LETTERS TO THE EDITOR
Comments
TE Comment on "A reaction-path Hamiltonian described with
quasirectilinear vibrational coordinates constructed from a
nonlinear combination of curvilinear internal coordinates:
Application to examination of the reaction CH_{4}+F-->CH_{3}+HF"
[J. Chem. Phys., v.113, 3136 (2000)]
AU G.Natanson
PP 6378-6379
Errata
TE Erratum: "Molecular constants and Rydberg-Klein-Rees (RKR)
potential curve for the Na_{2} 1 ^{3}Sigma_{g}^{-} state" [J.
Chem. Phys., v.111, 3494 (1999)]
AU Yaoming Liu, Jian Li, Dieyan Chen, Li Li, Kevin M.Jones,
Bing Ji, and Robert J.Le Roy
PP 6380