The Journal of Chemical Physics, 2002, V 117, N 11, September 15.
COMMUNICATIONS
TE Predicting water's phase diagram and liquid-state anomalies
AU Thomas M.Truskett and Ken A.Dill
PP 5101-5104
TE Stability of a chemically bound helium compound in high-pressure
solid helium
AU Z.Bihary, G.M.Chaban, and R.B.Gerber
PP 5105-5108
TE Optical and transport properties of an alkali-doped
methanofullerene
AU A.P.Saab, G.D.Stucky, V.I.Srdanov, J.C.Hummelen, M.Gonzalez, and F.Wudl
PP 5109-5112
ARTICLES
Theoretical Methods and Algorithms
TE Electrons weakly bound to hydrogen bonded clusters: A
pseudopotential model including dispersion interactions
AU Milan Sindelka, Vladimir Spirko, and Pavel Jungwirth
PP 5113-5123
TE Symmetry-forcing procedure and convergence behavior of
perturbation expansions for molecular interaction energies
AU Konrad Patkowski, Bogumil Jeziorski, Tatiana Korona, and Krzysztof Szalewicz
PP 5124-5134
TE Effective procedure for energy optimizing antisymmetrized
geminal power states
AU B.Weiner and J.V.Ortiz
PP 5135-5154
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE The Cs_{2} ground electronic state by Fourier transform
spectroscopy: Dispersion coefficients
AU C.Amiot and O.Dulieu
PP 5155-5164
TE Rotationally resolved laser-induced fluorescence of biacetyl in
A ^{1}A_{u}-X ^{1}A_{g}
AU Cheng-Liang Huang, Hon-Huei Liu, Chen-Lin Liu, A.H.Kung, and Chi-Kung Ni
PP 5165-5173
TE Chebyshev real wave packet propagation: H+O_{2} (J=0)
state-to-state reactive scattering calculations
AU Hong Zhang and Sean C.Smith
PP 5174-5182
TE Full-dimensional quantum wave packet study of rotationally
inelastic transitions in H_{2}+H_{2} collision
AU Shi Ying Lin and Hua Guo
PP 5183-5191
TE Ab initio dipole moment functions of H_{2}^{32}S and intensity
anomalies in rovibrational spectra
AU Thibaud Cours, Pavel Rosmus, and Vladimir G.Tyuterev
PP 5192-5208
TE Intracluster multiple trimeric cyclization of acrylonitrile
clusters initiated by electron transfer from a potassium atom:
Size-dependent pathways in metastable dissociation of
K^{+}(CH_{2}==CHCN)_{n} photoions
AU Keijiro Ohshimo, Fuminori Misaizu, and Koichi Ohno
PP 5209-5220
TE Methylation effects in state-resolved quenching of highly
vibrationally excited azabenzenes (E_{vib}38 500 cm^{-1}). II.
Collisions with carbon dioxide
AU Jeunghee Park, Lawrence Shum, Andrew S.Lemoff, Kathryn Werner,
and Amy S.Mullin
PP 5221-5233
TE Spectroscopy of Ni_{n}(benzene)_{m} anion complexes
AU B.K.Rao and P.Jena
PP 5234-5239
TE Reassignment of the O_{2} spectrum just below dissociation
threshold based on ab initio calculations
AU Mirjam C.G.N.van Vroonhoven and Gerrit C.Groenenboom
PP 5240-5251
TE Tunable diode laser study of the nu_{2} infrared band of
fluoroketene: Confirmation of anomalously low C==O stretching
frequency
AU Douglas K.Russell and Ralf Wesendrup
PP 5252-5256
TE Structures, energetics, and spectra of OH^{-}(H_{2}O)_{n} and
SH^{-}(H_{2}O)_{n} clusters, n=1-5: Ab initio study
AU M.Masamura
PP 5257-5263
TE Dissociative recombination of D^{+}(D_{2}O)_{2} water cluster
ions with free electrons
AU M.B.Nagard, J.B.C.Pettersson, A.M.Derkatch, A.Al Khalili,
A.Neau, S.Rosen, M.Larsson, J.Semaniak, H.Danared, A.Kaellberg,
F.Oesterdahl, and M.af.Ugglas
PP 5264-5270
TE Relationship between the thermal properties and optical emission
spectra of the KXe_{N} polyatomic exciplexes
AU Akihiro Fujisaki
PP 5271-5279
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Proton transfer reaction of 4-methyl-2,6-dicarbomethoxyphenol in
nonpolar and weakly polar solvents
AU A.Mandal, D.N.Nath, S.Mukherjee, S.Mitra, and R.Das
PP 5280-5289
TE The total molecular dipole moment for liquid water
AU Anna V.Gubskaya and Peter G.Kusalik
PP 5290-5302
TE Crystal structure, molecular dynamics, and polar properties of
pyridinium fluorochromate
AU Z.Pajak, H.Maluszynska, B.Szafranska, and P.Czarnecki
PP 5303-5310
TE An ab initio based model for the simulation of multiple ^{2}P
atoms embedded in a cluster of spherical ligands, with
application to Al in solid para-hydrogen
AU Qian Wang, Millard H.Alexander, and Jennifer R.Krumrine
PP 5311-5318
TE Liquid-to-crystal nucleation: A new generation lag-time apparatus
AU A.F.Heneghan and A.D.J.Haymet
PP 5319-5327
TE Nucleation rate and primary particle size distribution
AU Richard B.McClurg
PP 5328-5336
Surfaces, Interfaces, and Materials
TE Hydrogarnet defect in chabazite and sodalite zeolites: A
periodic Hartree-Fock and B3-LYP study
AU F.Pascale, P.Ugliengo, B.Civalleri, R.Orlando, P.D'Arco, and R.Dovesi
PP 5337-5346
TE A time-of-flight quadrupole mass spectrometric study of
C_{n}^{+}(n=1-24) ions produced by laser ablation of a graphite target
AU Chang Hyun Bae and Seung Min Park
PP 5347-5353
TE Monte Carlo studies of adsorption of a sequenced polyelectrolyte
to patterned surfaces
AU J.McNamara, C.Y.Kong, and M.Muthukumar
PP 5354-5360
TE Characterization of coupled pore systems from the diffusion
eigenspectrum
AU L.J.Zielinski, Y.-Q.Song, S.Ryu, and P.N.Sen
PP 5361-5365
TE Molecular dynamics simulations on devitrification: The PbF_{2} case
AU Mauricio A.P.Silva, Andre Monteil, Younes Messaddeq, and Sidney J.L.Ribeiro
PP 5366-5372
TE The structure of frozen phases in slit nanopores: A grand
canonical Monte Carlo study
AU K.G.Ayappa and Chandana Ghatak
PP 5373-5383
TE On the modulation of optical transmission spectra of thin dye
layers by a supporting medium
AU E.G.Bortchagovsky and U.C.Fischer
PP 5384-5392
TE Absorption spectra of mixed two-dimensional cyanine aggregates
on silver halide substrates
AU Lisette D.Bakalis, Igor Rubtsov, and Jasper Knoester
PP 5393-5403
Polymers, Biopolymers, and Complex Systems
TE Improved Gaussian self-consistent method-applications to
homopolymers with different architectures in dilute solution
AU Edward G.Timoshenko and Yuri A.Kuznetsov
PP 5404-5414
TE Polymer depletion interaction between a colloid particle and a
wall: A Monte Carlo study
AU Andrey Milchev and Aniket Bhattacharya
PP 5415-5420
TE Simplified Onsager theory for isotropic-nematic phase equilibria
of length polydisperse hard rods
AU Alessandro Speranza and Peter Sollich
PP 5421-5436
TE Electronic structure of poly(tri-heterocycle) based on furan and
thiophene: The role of the syn links
AU R.L.Doretto and B.Laks
PP 5437-5442
TE Simulation of nanocolloid chemical potentials in a hard-sphere
polymer solution: Expanded ensemble Monte Carlo
AU Marla Krishna Tej and J.Carson Meredith
PP 5443-5451
TE Counterion-only electrical double layer: A constrained entropy
approach
AU Wuge H.Briscoe and Phil Attard
PP 5452-5464
TE Atomistic Monte Carlo simulation of strictly monodisperse long
polyethylene melts through a generalized chain bridging algorithm
AU Nikos Ch.Karayiannis, Ageliki E.Giannousaki,
Vlasis G.Mavrantzas, and Doros N.Theodorou
PP 5465-5479
TE Interface properties and bubble nucleation in compressible
mixtures containing polymers
AU M.Mueller, L.G.MacDowell, P.Virnau, and K.Binder
PP 5480-5496
LETTERS TO THE EDITOR
Notes
TE On the definition of the spin-free cumulant of the second-order
reduced density matrix
AU Luis Lain, Alicia Torre, and Roberto Bochicchio
PP 5497-5498
Errata
TE Publisher's Note: "A new mechanism for the enhancement of
activated bimolecular reactions by rotational excitation" [J.
Chem. Phys., v.112, 8813 (2000)]
AU Adolf Miklavc, Marko Perdih, and Ian W.M.Smith
PP 5499