Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.11 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (43 articles)

5101 - 5104	Predicting water's phase diagram and liquid-state anomalies Truskett TM, Dill KA
5105 - 5108	Stability of a chemically bound helium compound in high-pressure solid helium Bihary Z, Chaban GM, Gerber RB
5109 - 5112	Optical and transport properties of an alkali-doped methanofullerene Saab AP, Stucky GD, Srdanov VI, Hummelen JC, Gonzalez M, Wudl F
5113 - 5123	Electrons weakly bound to hydrogen bonded clusters: A pseudopotential model including dispersion interactions Sindelka M, Spirko V, Jungwirth P
5124 - 5134	Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies Patkowski K, Jeziorski B, Korona T, Szalewicz K
5135 - 5154	Effective procedure for energy optimizing antisymmetrized geminal power states Weiner B, Ortiz JV
5155 - 5164	The Cs-2 ground electronic state by Fourier transform spectroscopy: Dispersion coefficients Amiot C, Dulieu O
5165 - 5173	Rotationally resolved laser-induced fluorescence of biacetyl in A(1)A(u)-X(1)A(g) Huang CL, Liu HH, Liu CL, Kung AH, Ni CK
5174 - 5182	Chebyshev real wave packet propagation: H+O-2 (J=0) state-to-state reactive scattering calculations Zhang H, Smith SC
5183 - 5191	Full-dimensional quantum wave packet study of rotationally inelastic transitions in H-2+H-2 collision Lin SY, Guo H
5192 - 5208	Ab initio dipole moment functions of (H2S)-S-32 and intensity anomalies in rovibrational spectra Cours T, Rosmus P, Tyuterev VG
5209 - 5220	Intracluster multiple trimeric cyclization of acrylonitrile clusters initiated by electron transfer from a potassium atom: Size-dependent pathways in metastable dissociation of K+(CH2 = CHCN)(n) photoions Ohshimo K, Misaizu F, Ohno K
5221 - 5233	Methylation effects in state-resolved quenching of highly vibrationally excited azabenzenes (E-vib similar to 38 500 cm(-1)). II. Collisions with carbon dioxide Park J, Shum L, Lemoff AS, Werner K, Mullin AS
5234 - 5239	Spectroscopy of Ni-n(benzene)(m) anion complexes Rao BK, Jena P
5240 - 5251	Reassignment of the O-2 spectrum just below dissociation threshold based on ab initio calculations van Vroonhoven MCGN, Groenenboom GC
5252 - 5256	Tunable diode laser study of the nu(2) infrared band of fluoroketene: Confirmation of anomalously low C = O stretching frequency Russell DK, Wesendrup R
5257 - 5263	Structures, energetics, and spectra of OH-(H2O)(n) and SH-(H2O)(n) clusters, n=1-5: Ab initio study Masamura M
5264 - 5270	Dissociative recombination of D+(D2O)(2) water cluster ions with free electrons Nagard MB, Pettersson JBC, Derkatch AM, Al Khalili A, Neau A, Rosen S, Larsson M, Semaniak J, Danared H, Kallberg A, Osterdahl F, af Ugglas M
5271 - 5279	Relationship between the thermal properties and optical emission spectra of the KXeN polyatomic exciplexes Fujisaki A
5280 - 5289	Proton transfer reaction of 4-methyl-2,6-dicarbomethoxyphenol in nonpolar and weakly polar solvents Mandal A, Nath DN, Mukherjee S, Mitra S, Das R
5290 - 5302	The total molecular dipole moment for liquid water Gubskaya AV, Kusalik PG
5303 - 5310	Crystal structure, molecular dynamics, and polar properties of pyridinium fluorochromate Pajak Z, Maluszynska H, Szafranska B, Czarnecki P
5311 - 5318	An ab initio based model for the simulation of multiple P-2 atoms embedded in a cluster of spherical ligands, with application to Al in solid para-hydrogen Wang Q, Alexander MH, Krumrine JR
5319 - 5327	Liquid-to-crystal nucleation: A new generation lag-time apparatus Heneghan AF, Haymet ADJ
5328 - 5336	Nucleation rate and primary particle size distribution McClurg RB
5337 - 5346	Hydrogarnet defect in chabazite and sodalite zeolites: A periodic Hartree-Fock and B3-LYP study Pascale F, Ugliengo P, Civalleri B, Orlando R, D'Arco P, Dovesi R
5347 - 5353	A time-of-flight quadrupole mass spectrometric study of C-n(+)(n=1-24) ions produced by laser ablation of a graphite target Bae CH, Park SM
5354 - 5360	Monte Carlo studies of adsorption of a sequenced polyelectrolyte to patterned surfaces McNamara J, Kong CY, Muthukumar M
5361 - 5365	Characterization of coupled pore systems from the diffusion eigenspectrum Zielinski LJ, Song YQ, Ryu S, Sen PN
5366 - 5372	Molecular dynamics simulations on devitrification: The PbF2 case Silva MAP, Monteil A, Messaddeq Y, Ribeiro SJL
5373 - 5383	The structure of frozen phases in slit nanopores: A grand canonical Monte Carlo study Ayappa KG, Ghatak C
5384 - 5392	On the modulation of optical transmission spectra of thin dye layers by a supporting medium Bortchagovsky EG, Fischer UC
5393 - 5403	Absorption spectra of mixed two-dimensional cyanine aggregates on silver halide substrates Bakalis LD, Rubtsov I, Knoester J
5404 - 5414	Improved Gaussian self-consistent method - applications to homopolymers with different architectures in dilute solution Timoshenko EG, Kuznetsov YA
5415 - 5420	Polymer depletion interaction between a colloid particle and a wall: A Monte Carlo study Milchev A, Bhattacharya A
5421 - 5436	Simplified Onsager theory for isotropic-nematic phase equilibria of length polydisperse hard rods Speranza A, Sollich P
5437 - 5442	Electronic structure of poly(tri-heterocycle) based on furan and thiophene: The role of the syn links Doretto RL, Laks B
5443 - 5451	Simulation of nanocolloid chemical potentials in a hard-sphere polymer solution: Expanded ensemble Monte Carlo Tej MK, Meredith JC
5452 - 5464	Counterion-only electrical double layer: A constrained entropy approach Briscoe WH, Attard P
5465 - 5479	Atomistic Monte Carlo simulation of strictly monodisperse long polyethylene melts through a generalized chain bridging algorithm Karayiannis NC, Giannousaki AE, Mavrantzas VG, Theodorou DN
5480 - 5496	Interface properties and bubble nucleation in compressible mixtures containing polymers Muller M, MacDowell LG, Virnau P, Binder K
5497 - 5498	On the definition of the spin-free cumulant of the second-order reduced density matrix Lain L, Torre A, Bochicchio R
5499 - 5499	A new mechanism for the enhancement of activated bimolecular reactions by rotational excitation (vol 112, pg 8813, 2000) Miklavc A, Perdih M, Smith IWM