Journal of Chemical Physics

Journal of Chemical Physics, Vol.119, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

10467 - 10470	Monitoring chemical reactions at a liquid-solid interface: Water on CuIn(S,Se)(2) thin film solar cell absorbers Heske C, Groh U, Fuchs O, Weinhardt L, Umbach E, Schedel-Niedrig T, Fischer CH, Lux-Steiner MC, Zweigart S, Niesen TP, Karg F
10471 - 10474	Infrared spectroscopy of V+(H2O) and V+(D2O) complexes: Solvent deformation and an incipient reaction Walker NR, Walters RS, Pillai ED, Duncan MA
10475 - 10488	Energy estimators for random series path-integral methods Predescu C, Sabo D, Doll JD, Freeman DL
10489 - 10496	Restricted density-functional linear response theory calculations of electronic g-tensors Rinkevicius Z, Telyatnyk L, Salek P, Vahtras O, Agren H
10497 - 10511	Dispersion interaction of high-spin open-shell complexes in the random phase approximation Zuchowski PS, Bussery-Honvault B, Moszynski R, Jeziorski B
10512 - 10518	On one-dimensional discrete variable representations with general basis functions Szalay V, Czako G, Nagy A, Furtenbacher T, Csaszar AG
10519 - 10535	Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods Kongsted J, Osted A, Mikkelsen KV, Christiansen O
10536 - 10552	Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces Assaraf R, Caffarel M
10553 - 10562	The formic acid dimer (HCOOH)(2) probed by time-resolved structure selective spectroscopy Matylitsky VV, Riehn C, Gelin MF, Brutschy B
10563 - 10574	Close coupling calculations for rotational relaxation of CO in argon: Accuracy of energy corrected sudden scaling procedures and comparison with experimental data Martinez RZ, Domenech JL, Bermejo D, Thibault F
10575 - 10584	Impact of interatomic electronic decay processes on Xe4d hole decay in the xenon fluorides Buth C, Santra R, Cederbaum LS
10585 - 10590	Computational study of the rate constants and kinetic isotope effects for the CH3+HBr -> CH4+Br reaction Sheng L, Li ZS, Liu JY, Sun CC
10591 - 10599	A comparison of stable carbonyls formed in the gas-phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO-, PdCO-, and PtCO- Chatterjee B, Akin FA, Jarrold CC, Raghavachari K
10600 - 10606	The reaction of OH with acetone and acetone-d(6) from 298 to 832 K: Rate coefficients and mechanism Yamada T, Taylor PH, Goumri A, Marshall P
10607 - 10617	Combined crossed-beam studies of C(P-3(J))+C2H4 -> C3H3+H reaction dynamics between 0.49 and 30.8 kJ mol(-1) Geppert WD, Naulin C, Costes M, Capozza G, Cartechini L, Casavecchia P, Volpi GG
10618 - 10625	A direct classical trajectory study of the acetone photodissociation on the triplet surface Martinez-Nunez E, Fernandez-Ramos A, Cordeiro MNDS, Vazquez SA, Aoiz FJ, Banares L
10626 - 10632	Size dependence of CH stretching features on diamond nanocrystal surfaces: Infrared spectroscopy and density functional theory calculations Chen YR, Chang HC, Cheng CL, Wang CC, Jiang JC
10633 - 10637	Relativistic coupled cluster calculations of the energies for rubidium and cesium atoms Chaudhuri RK, Sahoo BK, Das BP, Merlitz H, Mahapatra US, Mukherjee D
10638 - 10646	Experimental and theoretical study of distribution of O-2 molecules over vibrational levels in O-2(a(1)Delta(g))-I mixture Antonov IO, Azyazov VN, Ufimtsev NI
10647 - 10652	The aminoboranylidene-iminoborane isomerization Rosas-Garcia VM, Crawford TD
10653 - 10657	Manipulating bond lengths adiabatically with light Sola IR, Chang BY, Rabitz H
10658 - 10666	Detailed dynamics of a complex photochemical reaction: Cis-trans photoisomerization of stilbene Dou YS, Allen RE
10667 - 10677	Ab initio study of the HO2+NO reaction: Prediction of the total rate constant and product branching ratios for the forward and reverse processes Zhu RS, Lin MC
10678 - 10686	A quantum dynamical study of the He+-> 2He -> He-2(+)+He reaction Xie JK, Poirier B, Gellene GI
10687 - 10695	Studies of Ar : HBr using fast scan submillimeter-wave and microwave coaxial pulsed jet spectrometers with sub-kHz precision McElmurry BA, Lucchese RR, Bevan JW, Leonov II, Belov SP, Legon AC
10696 - 10701	Zwitterion formation in hydrated amino acid, dipole bound anions: How many water molecules are required? Xu SJ, Nilles M, Bowen KH
10702 - 10712	Studies of metal hydrosulfides III: the millimeter/submillimeter spectrum of BaSH ((X)over-tilde(2)A') Janczyk A, Ziurys LM
10713 - 10723	Critical comparison of single-reference and multireference coupled-cluster methods: Geometry, harmonic frequencies, and excitation energies of N2O2 Tobita M, Perera SA, Musial M, Bartlett RJ, Nooijen M, Lee JS
10724 - 10732	A global electric dipole function of ammonia and isotopomers in the electronic ground state Marquardt R, Quack M, Thanopulos I, Luckhaus D
10733 - 10744	Reversible work of the formation of a layer of a new phase on a spherical charged conductor within a uniform multicomponent macroscopic mother phase Noppel M, Vehkamaki H, Kulmala M
10745 - 10752	Factorized time correlation diagram analysis of Raman induced Kerr effect spectroscopy using noisy light Turner DB, Ulness DJ
10753 - 10758	Evidence of charge-enhanced C-H-O interactions in aqueous protonated imidazole probed by high pressure infrared spectroscopy Su CC, Chang HC, Jiang JC, Wei PY, Lu LC, Lin SH
10759 - 10763	On different possibilities of a thermodynamically consistent determination of the work of critical cluster formation in nucleation theory Schmelzer JWP, Baidakov VG
10764 - 10770	Molecular dynamics simulation of nucleation in the presence of a carrier gas Toxvaerd S
10771 - 10776	A ground level interpretation of the dielectric behavior of diluted alcohol-in-carbon tetrachloride mixtures Pieruccini M, Saija F, Ponterio R, Vasi C
10777 - 10788	Analytical implementation and critical tests of fluid thermodynamic perturbation theory Ben-Amotz D, Stell G
10789 - 10800	The cooperative dynamics of the H-bond system in 2-propanol/water mixtures: Steric hindrance effects of nonpolar head group Sato T, Buchner R
10801 - 10805	Low-frequency Raman study of water-ethylene glycol oligomer binary mixtures Amo Y, Inadachi Y, Tominaga Y
10806 - 10813	A high-resolution neutron powder diffraction study of ammonia dihydrate (ND3 center dot 2D(2)O) phase I Fortes AD, Wood IG, Brodholt JP, Alfredsson M, Vocadlo L, McGrady GS, Knight KS
10814 - 10823	Infrared spectra of trans-HOCO, HCOOH+, and HCO2- trapped in solid neon Forney D, Jacox ME, Thompson WE
10824 - 10831	Infrared spectra of HOCO+ and of the complex of H-2 with CO2- trapped in solid neon Jacox ME, Thompson WE
10832 - 10843	Phase behavior of hard-core lattice gases: A fundamental measure approach Lafuente L, Cuesta JA
10844 - 10852	The influence of steps on the dissociation of NO on Pt surfaces: Temperature-programmed desorption studies of NO adsorption on Pt{211} Mukerji RJ, Bolina AS, Brown WA
10853 - 10866	Ultrahigh vacuum and high-pressure coadsorption of CO and H-2 on Pd-(111): A combined SFG, TDS, and LEED study Morkel M, Rupprechter G, Freund HJ
10867 - 10878	Multilayer growth and chemisorbate reactivity of methanol on Pd{110} Pratt SJ, Escott DK, King DA
10879 - 10884	2,5-dichlorothiophenol on Cu-(111): Initial adsorption site and scanning tunnel microscope-based abstraction of hydrogen at high intramolecular selectivity Rao BV, Kwon KY, Liu AW, Bartels L
10885 - 10894	Surface structure of Co-Pd bimetallic particles supported on Al2O3 thin films studied using infrared reflection absorption spectroscopy of CO Carlsson AF, Baumer M, Risse T, Freund HJ
10895 - 10903	Interaction of sulfur dioxide with titanium-carbide nanoparticles and surfaces: A density functional study Liu P, Rodriguez JA
10904 - 10910	NO2 and CO gas adsorption on carbon nanotubes: Experiment and theory Santucci S, Picozzi S, Di Gregorio F, Lozzi L, Cantalini C, Valentini L, Kenny JM, Delley B
10911 - 10916	Temperature evolution of structural and magnetic properties of transition metal clusters Fthenakis Z, Andriotis AN, Menon M
10917 - 10923	Are both symmetric and buckled dimers on Si-(100) minima? Density functional and multireference perturbation theory calculations Jung YS, Shao YH, Gordon MS, Doren DJ, Head-Gordon M
10924 - 10929	Charge recombination in a poly(para-phenylene vinylene)-fullerene derivative composite film studied by transient, nonresonant, hole-burning spectroscopy Offermans T, Meskers SCJ, Janssen RAJ
10930 - 10940	Comparison of experimental and calculated infrared spectra of aminocarbynes on the Pt-(111) surface Chatterjee B, Kang DH, Herceg E, Trenary M
10941 - 10952	Quantum and classical aspects of activated surface diffusion Shushin AI, Pollak E
10953 - 10957	Liquid-liquid demixing in a binary polymer blend driven solely by the component-selective crystallizability Hu WB, Mathot VBF
10958 - 10971	Fluid-solid equilibria of flexible and linear rigid tangent chains from Wertheim's thermodynamic perturbation theory Blas FJ, Sanz E, Vega C, Galindo A
10972 - 10976	Effect of protein-protein interactions on protein aggregation kinetics Zhang J, Liu XY
10977 - 10988	Self-consistent field theory of brushes of neutral water-soluble polymers Baulin VA, Zhulina EB, Halperin A