Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (68 articles)

2941 - 2944	Extended corresponding-states behavior for particles with variable range attractions Noro MG, Frenkel D
2945 - 2948	New electric quadrupole transitions of K-2 observed in a pulsed molecular beam: The 1 (1)Delta(g)-X (1)Sigma(+)(g) bands near 500 nm Joo DL, Yoon Y, Lee Y, Baek SJ, Kim B
2949 - 2956	Structure of the exact wave function Nakatsuji H
2957 - 2968	On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar-HF from two- and three-dimensional potentials Jeziorska M, Jankowski P, Szalewicz K, Jeziorski B
2969 - 2975	The ONIOM (our own N-layered integrated molecular orbital plus molecular mechanics) method for the first singlet excited (S-1) state photoisomerization path of a retinal protonated Schiff base Vreven T, Morokuma K
2976 - 2982	Fluctuation formulas in molecular-dynamics simulations with the weak coupling heat bath Morishita T
2983 - 2989	Nuclear shielding constants by density functional theory with gauge including atomic orbitals Helgaker T, Wilson PJ, Amos RD, Handy NC
2990 - 2994	Total energy density as an interpretative tool Cohen MH, Frydel D, Burke K, Engel E
2995 - 3001	Structures and vibrations of phenol(NH3)(2-4) clusters Schmitt M, Jacoby C, Gerhards M, Unterberg C, Roth W, Kleinermanns K
3002 - 3010	Hydride abstraction by NO+ from ethanol: Effects of collision energy and ion rotational state Green RJ, Qian J, Kim HT, Anderson SL
3011 - 3019	The He-OCS van der Waals potential from model calculations: Bound states, stable structures, and vibrational couplings Gianturco FA, Paesani F
3020 - 3025	Associative formation of Rydberg state clusters from collisions between a Rydberg state species and a ground state neutral atom Peng XZ, Abbott JE, Kong W
3026 - 3033	Fourier transform spectroscopy of BaO: New ground-state constants from the A (1)Sigma(+)-X (1)Sigma(+) chemiluminescence Li HZ, Focsa C, Pinchemel B, Le Roy RJ, Bernath PF
3034 - 3038	The CO dimer millimeter wave spectrum: Detection of tunneling transitions Roth DA, Surin LA, Dumesh BS, Winnewisser G, Pak I
3039 - 3045	The dissociative recombination of hydrocarbon ions. III. Methyl-substituted benzene ring compounds Rebrion-Rowe C, Mostefaoui T, Laube S, Mitchell JBA
3046 - 3054	Collisional quenching of CO B (1)Sigma(+)(v(')=0) probed by two-photon laser-induced fluorescence using a picosecond laser Di Teodoro F, Rehm JE, Farrow RL, Paul PH
3055 - 3066	Dynamics of the vibrational predissociation of HCl dimer Ni H, Serafin JM, Valentini JJ
3067 - 3076	Direct potential fit analysis of the X (1)Sigma(+)(g) state of Rb-2: Nothing else will do! Seto JY, Le Roy RJ, Verges J, Amiot C
3077 - 3087	Ab initio study of the electric-field-gradient-induced birefringence of a polar molecule: CO Rizzo A, Coriani S, Halkier A, Hattig C
3088 - 3097	Characterization of nitrogen-containing radical products from the photodissociation of trimethylamine using photoionization detection Forde NR, Butler LJ, Ruscic B, Sorkhabi O, Qi F, Suits A
3098 - 3103	Accuracy of the energy partitioning data obtained by classical trajectory calculations on potential energy surfaces constructed by interpolation: H2CO -> H-2+CO as an example Sung BJ, Kim MS
3104 - 3110	Combination band spectroscopy of H-3(+) McCall BJ, Oka T
3111 - 3120	Photo-induced reactions in mass-selected complexes Mg+(FCH3)(n), n=1-4 Yang X, Liu HC, Yang SH
3121 - 3129	Unexpected differential sensitivity of nuclear spin-spin-coupling constants to bond stretching in BH4-, NH4+, and SiH4 Sauer SPA, Raynes WT
3130 - 3135	A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Formulation Okuno Y
3136 - 3140	A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Application to examination of the reaction CH4+F -> CH3+HF Okuno Y, Yokoyama S, Mashiko S
3141 - 3149	The pure rotational spectrum of CaNH2 and CaND2 ((X)over-tilde(2)A(1)): Additional proof of planarity Brewster MA, Ziurys LM
3150 - 3161	A new potential surface and quasiclassical trajectory study of H+H2O -> OH+H-2 Wu G, Schatz GC, Lendvay G, Fang DC, Harding LB
3162 - 3172	The H+N2O -> OH((2)Pi(Omega),upsilon ',N ')+N-2 reaction: OH rotational angular momentum polarization Brouard M, Gatenby SD, Joseph DM, Vallance C
3173 - 3180	Product state resolved stereodynamics: Rotational polarization of OH((2)Pi; upsilon ', N ', Omega, f) scattered from the reaction, H+CO2 -> OH+CO Brouard M, Burak I, Hughes DW, Kalogerakis KS, Simons JP, Stavros V
3181 - 3193	Selection rules for nuclear spin modifications in ion-neutral reactions involving H-3(+) Cordonnier M, Uy D, Dickson RM, Kerr KE, Zhang Y, Oka T
3194 - 3203	Photoisomerization reaction of CH2BrI following A-band and B-band photoexcitation in the solution phase: Transient resonance Raman observation of the iso-CH2I-Br photoproduct Zheng XM, Phillips DL
3204 - 3211	Glass transition relaxation and fragility in the molecular glass forming m-toluidine: A study by thermally stimulated depolarization currents Correia NT, Alvarez C, Ramos JJM, Descamps M
3212 - 3218	An alternative way of thinking about electron transfer in proteins: Proton assisted electron transfer between the primary and the secondary quinones in photosynthetic reaction centers Peluso A, Di Donato M, Saracino GAA
3219 - 3225	Hydrogen dynamics in [Me(H2O)(6)](ClO4)(2) with Me=Mg, Mn, Fe, Ni, and Zn investigated with quasielastic neutron scattering Noldeke C, Asmussen B, Press W, Buttner H, Kearley G, Lechner RE, Ruffle B
3226 - 3232	Ionic contribution to the viscosity of dilute electrolyte solutions: Towards a microscopic theory Chandra A, Bagchi B
3233 - 3242	Two-pulse echo experiments in the spectral diffusion regime Berg MA, Rector KD, Fayer MD
3243 - 3248	Structure and dynamics of nonaqueous mixtures of dipolar liquids. I. Infrared and far-infrared spectroscopy Venables DS, Chiu A, Schmuttenmaer CA
3249 - 3260	Structure and dynamics of nonaqueous mixtures of dipolar liquids. II. Molecular dynamics simulations Venables DS, Schmuttenmaer CA
3261 - 3269	Analysis of water-ethanol nucleation rate data with two component nucleation theorems Vehkamaki H, Ford IJ
3270 - 3281	Dual Lanczos simulation of dynamic nuclear magnetic resonance spectra for systems with many spins or exchange sites Dumont RS, Hazendonk P, Bain A
3282 - 3288	Anharmonic effects in photoinduced electron transfer Evans DG
3289 - 3301	The study of the influence of Jahn-Teller coupling and low symmetry strain on the anomalous electron paramagnetic resonance spectrum of titanium(III) doped CsAl(SO4)(2)center dot 12H(2)O Tregenna-Piggott PLW, Noble CJ, Pilbrow JR
3302 - 3309	On the triplet structure of binary liquids Jorge S, Kahl G, Lomba E, Abascal JLF
3310 - 3314	Luminescence of Eu(fod)(3) in a homologic series of simple alcohols Schuurmans FJP, Lagendijk A
3315 - 3322	An analytical solution of the stochastic master equation for reversible bimolecular reaction kinetics Laurenzi IJ
3323 - 3331	Energy barrier effect on transient nucleation kinetics: Nucleation flux and lag-time calculation Maksimov IL, Sanada M, Nishioka K
3332 - 3337	The dynamics of supercritical water: A quasielastic incoherent neutron scattering study Tassaing T, Bellissent-Funel MC
3338 - 3343	Periodic ab initio calculations of orthoboric acid Zapol P, Curtiss LA, Erdemir A
3344 - 3350	The structure and spectroscopy of monolayers of water on MgO: An ab initio study Delle Site L, Alavi A, Lynden-Bell RM
3351 - 3359	Melting and crystallization in thin film of n-alkanes: A molecular dynamics simulation Shimizu T, Yamamoto T
3360 - 3365	Effect of three-body forces on the phase behavior of charged colloids Wu JZ, Bratko D, Blanch HW, Prausnitz JM
3366 - 3373	Ultrafast interfacial charge separation processes from the singlet and triplet MLCT states of Ru(bpy)(2)(dcbpy) adsorbed on nanocrystalline SnO2 under negative applied bias Iwai S, Hara K, Murata S, Katoh R, Sugihara H, Arakawa H
3374 - 3380	Structure and predicted near edge x-ray absorption fine structure spectra for the surface of liquid formamide from molecular-dynamics simulation Wojcik MC, Hermansson K, Siegbahn HOG
3381 - 3396	Collective diffusion, self-diffusion and freezing criteria of colloidal suspensions Banchio AJ, Nagele G, Bergenholtz J
3397 - 3403	Effect of initial conformation, flow strength, and hydrodynamic interaction on polymer molecules in extensional flows Agarwal US
3404 - 3413	Nonrandom behavior of amphiphilic dimers in solution Wu DW, Aranovich GL, Donohue MD
3414 - 3422	Validity of linear analysis in early-stage spinodal decomposition of a polymer mixture Hayashi M, Jinnai H, Hashimoto T
3423 - 3433	Free energy screening of small ligands binding to an artificial protein cavity Banba S, Brooks CL
3434 - 3440	Semiclassical law for the apparent viscosity of non-Newtonian fluids: An analogy between thixotropy of fluids and sintering of solids Mezzasalma SA
3441 - 3446	Diffusion-assisted reaction through a fluctuating bottleneck Seki K, Tachiya M
3447 - 3451	Dielectric relaxation in poly(styrene-b-butadiene) copolymers with perfluorinated side chains Floudas G, Antonietti M, Forster S
3452 - 3465	Dipole-induced ordering in nematic liquid crystals. II. The elusive holy grail Syvitski RT, Burnell EE
3466 - 3473	Molecular dynamics in a mixture of 8OCB-d(17) and 6OCB showing nematic and reentrant nematic phases: A deuterium nuclear magnetic resonance study Dong RY, Cheng M
3474 - 3476	The effect of anisotropy on the second virial coefficient of H-2 Harvey AH, Hodges MP
3477 - 3478	Comment on "A potential dependent polarizability?" [J. Chem. Phys. 96, 5289 (1992)] Donald KJ, Mulder WH, von Szentpaly L
3479 - 3479	Response to "Comment on 'A potential dependent polarizability?' '' [J. Chem. Phys. 113, 3477 (2000)] Shanker J, Kushwah SS
3480 - 3481	An accurate H-2-H-2 interaction potential from first principles (vol 112, pg 4465, 2000) Diep P, Johnson JK