The Journal of Chemical Physics, 2002, V 117, N 11, September 15.


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

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 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

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
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