Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (61 articles)

3437 - 3440	Interactions between passivated nanoparticles in solutions: Beyond the continuum model Rabani E, Egorov SA
3441 - 3443	An energy functional for surfaces Mattsson AE, Kohn W
3444 - 3447	Resonant Raman scattering by breathing modes of metal nanoparticles Portales H, Saviot L, Duval E, Fujii M, Hayashi S, Del Fatti N, Vallee F
3448 - 3453	The convergence of spin-orbit configuration interaction calculations for TlH and (113)H Choi YJ, Han YK, Lee YS
3454 - 3468	Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared Vuilleumier R, Sprik M
3469 - 3473	The influence of the detachment of electrons on the properties and the nature of interactions in X-H2O (X=Cl, Br) complexes Roszak S, Kowal M, Gora RW, Leszczynski J
3474 - 3483	On the correlation energy features in planar heteroatomic molecular systems Smith DM, Baric D, Maksic ZB
3484 - 3496	Extended benchmark studies of coupled cluster theory through triple excitations Feller D, Dixon DA
3497 - 3518	Electronic energy density in chemical reaction systems Tachibana A
3519 - 3530	Exchange energy density of an atom as a functional of the electron density Tao JM
3531 - 3539	A dual length scale method for plane-wave-based, simulation studies of chemical systems modeled using mixed ab initio/empirical force field descriptions Yarne DA, Tuckerman ME, Martyna GJ
3540 - 3544	A long-range correction scheme for generalized-gradient-approximation exchange functionals Iikura H, Tsuneda T, Yanai T, Hirao K
3545 - 3552	CC3 triplet excitation energies using an explicit spin coupled excitation space Hald K, Hattig C, Olsen J, Jorgensen P
3553 - 3560	Basis set superposition error free self-consistent field method for molecular interaction in multi-component systems: Projection operator formalism Nagata T, Takahashi O, Saito K, Iwata S
3561 - 3565	Relativistic Gaussian basis sets for molecular calculations: H-Xe Koga T, Tatewaki H, Matsuoka O
3566 - 3570	Resonant and nonresonant electron impact detachment of CN- and BO- Andersen LH, Bak J, Boye S, Clausen M, Hovgaard M, Jensen MJ, Lapierre A, Seiersen K
3571 - 3577	Isotopic probing of weak intermolecular forces: Infrared spectrum and energy levels of the (CO)-C-13-O-16 dimer McKellar ARW
3578 - 3589	Characterization of ArnCl(-) clusters (n=2-15) using zero electron kinetic energy and partially discriminated threshold photodetachment spectroscopy Lenzer T, Yourshaw I, Furlanetto MR, Pivonka NL, Neumark DM
3590 - 3597	Coherent control of quantum chaotic diffusion: Diatomic molecules in a pulsed microwave field Gong JB, Brumer P
3598 - 3603	Concentration measurements in molecular gas mixtures with a two-pump pulse femtosecond polarization spectroscopy technique Hertz E, Chaux R, Faucher O, Lavorel B
3604 - 3613	Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl-(H2O)(2) Wormer PES, Groenenboom GC, van der Avoird A
3614 - 3620	Femtosecond dissociation of ozone studied by the Auger Doppler effect Rosenqvist L, Wiesner K, de Brito AN, Bassler M, Feifel R, Hjelte I, Miron C, Wang H, Piancastelli MN, Svensson S, Bjorneholm O, Sorensen SL
3621 - 3628	Theoretical studies of the HO+O double left right arrow HO2 double left right arrow H+O-2 reaction. II. Classical trajectory calculations on an ab initio potential for temperatures between 300 and 5000 K Troe J, Ushakov VG
3629 - 3639	Effects of pressure and temperature on the reactions of niobium cluster cations with hydrogen and deuterium Vakhtin AB, Sugawara K
3640 - 3646	Strontium clusters: Many-body potential, energetics, and structural transitions Wang GM, Blaisten-Barojas E, Roitberg AE, Martin TP
3647 - 3656	The hyperfine structure of the 1 (3)Delta(g) state of Na-2 Liu Y, Ji B, Cheung ASC, Stwalley WC, Field RW, Lyyra AM, Li L
3657 - 3663	Photoelectron spectroscopy of gold-silver binary cluster anions (AunAgm-; 2 <= n+m <= 4) Negishi Y, Nakamura Y, Nakajima A, Kaya K
3664 - 3672	The potential energy surface and vibrational structure of C3H- Lakin NM, Hochlaf M, Chambaud G, Rosmus P
3673 - 3689	The study of conical intersections between consecutive pairs of the five lowest (2)A(') states of the C2H molecule Mebel AM, Yahalom A, Englman R, Baer M
3690 - 3697	Tunneling electron loss from isolated platinum tetrahalide dianions Blom MN, Hampe O, Gilb S, Weis P, Kappes MM
3698 - 3705	Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine Sancho-Garcia JC, Perez-Jimenez AJ, Perez-Jorda JM, Moscardo F
3706 - 3718	Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN-HNC system van Mourik T, Harris GJ, Polyansky OL, Tennyson J, Csaszar AG, Knowles PJ
3719 - 3723	The application of a vacuum ultraviolet Fourier transform spectrometer and synchrotron radiation source to measurements of the III epsilon(1,0) band of NO Rufus J, Yoshino K, Esmond JR, Thorne AP, Murray JE, Imajo T, Ito K, Matsui T
3724 - 3731	Free energy of solvation for the reference interaction site model: Critical comparison of expressions Ten-no S
3732 - 3741	Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules Chowdhuri S, Chandra A
3742 - 3749	High pressure crystal phases of benzene probed by infrared spectroscopy Ciabini L, Santoro M, Bini R, Schettino V
3750 - 3762	Thermodynamic and structural properties of liquid water around the temperature of maximum density in a wide range of pressures: A computer simulation study with a polarizable potential model Jedlovszky P, Vallauri R
3763 - 3768	Adsorption of HgCl2 molecules on Au(111) surfaces studied by scanning tunneling microscopy Laakso A, Lahtinen J, Levlin M, Hautojarvi P
3769 - 3778	Raman activation in disordered graphites of the A(1)(') symmetry forbidden k not equal 0 phonon: The origin of the D line Castiglioni C, Negri F, Rigolio M, Zerbi G
3779 - 3784	Spinodal decomposition of a binary fluid with fixed impurities Qiu F, Peng GW, Ginzburg VV, Balazs AC, Chen HY, Jasnow D
3785 - 3791	Dynamics of probe particles during sol-gel transition of PBLG-DMF solution and the resulting gel structure Oikawa H, Nakanishi H
3792 - 3803	Heterogeneous solvation: An ab initio approach Jorgensen S, Ratner MA, Mikkelsen KV
3804 - 3813	Molecular dynamics and microstructure development during cold crystallization in poly(ether-ether-ketone) as revealed by real time dielectric and x-ray methods Nogales A, Ezquerra TA, Denchev Z, Sics I, Calleja FJB, Hsiao BS
3814 - 3818	Nonplanar adsorption and orientational ordering of porphyrin molecules on Au(111) Yokoyama T, Yokoyama S, Kamikado T, Mashiko S
3819 - 3826	Influence of hydrostatic pressure on the Jahn-Teller effect in the T-4(2g) excited state of CrCl63- doped Cs2NaScCl6 Wenger OS, Valiente R, Gudel HU
3827 - 3833	Rate of diffusion-limited reactions in a cluster of spherical sinks Tsao HK, Lu SY, Tseng CY
3834 - 3839	Microwave modulation of exciton emission in molecular controlled semiconductor resistor Havdala R, Langof L, Lifshitz E, Naaman R
3840 - 3861	Theory of rubber friction and contact mechanics Persson BNJ
3862 - 3872	Surface tension at the vapor/liquid interface in an attractive hard-core Yukawa fluid Gonzalez-Melchor M, Trokhymchuk A, Alejandre J
3873 - 3877	Interaction between hydrophobic surfaces with metastable intervening liquid Bratko D, Curtis RA, Blanch HW, Prausnitz JM
3878 - 3887	Fluid flow in nanopores: An examination of hydrodynamic boundary conditions Sokhan VP, Nicholson D, Quirke N
3888 - 3894	Energy dissipation and scattering angle distribution analysis of the classical trajectory calculations of methane scattering from a Ni(111) surface Milot R, Kleyn AW, Jansen APJ
3895 - 3905	Equilibrium polymerization of cyclic carbonate oligomers Ballone P, Jones RO
3906 - 3915	Thermodynamic properties and phase equilibria of branched chain fluids using first- and second-order Wertheim's thermodynamic perturbation theory Blas FJ, Vega LF
3916 - 3922	Molecular dynamics simulation of the linear low-density polyethylene crystallization Zhang XB, Li ZS, Lu ZY, Sun CC
3923 - 3936	Gaussian random fields with two level-cuts-Model for asymmetric microemulsions with nonzero spontaneous curvature? Arleth L, Marcelja S, Zemb T
3937 - 3950	Detailed atomistic molecular-dynamics simulation of the orthorhombic phase of crystalline polyethylene and alkane crystals Mavrantza IE, Prentzas D, Mavrantzas VG, Galiotis C
3951 - 3956	Monte Carlo simulation on thermodynamic properties of a heteropolymer chain Wang YU, Chen HN, Liang HJ
3957 - 3966	Simulation of polyethylene oxide: Improved structure using better models for hydrogen and flexible walls Halley JW, Duan Y, Nielsen B, Redfern PC, Curtiss LA
3967 - 3968	Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis (vol 114, pg 3919, 2001) Hirata S, Nooijen M, Grabowski I, Bartlett RJ
3969 - 3969	Controlling electron transfer in strong time-dependent fields: Theory beyond the Golden Rule approximation (vol 113, pg 11159, 2000) Hartmann L, Goychuk I, Hanggi P