Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

1577 - 1580	Phonon dispersion curves in KOD-doped ice observed by neutron scattering Fukazawa H, Ikeda S, Oguro M, Bennington SM, Mae S
1581 - 1584	Spin-exchange optical pumping of high-density xenon-129 Mortuza MG, Anala S, Pavlovskaya GE, Dieken TJ, Meersmann T
1585 - 1588	A crossed molecular beams study of the O(P-3)+H-2 reaction: Comparison of excitation function with accurate quantum reactive scattering calculations Garton DJ, Minton TK, Maiti B, Troya D, Schatz GC
1589 - 1592	Molecular dynamics simulations of microwave heating of water English NJ, MacElroy JMD
1593 - 1595	Arrhenius viscosity in fragile liquids due to non-Newtonian effects Lacks DJ
1596 - 1603	A path integral approach to molecular thermochemistry Glaesemann KR, Fried LE
1604 - 1609	A comparison of polarized double-zeta basis sets and natural orbitals for full configuration interaction benchmarks Abrams ML, Sherrill CD
1610 - 1619	Full configuration interaction potential energy curves for breaking bonds to hydrogen: An assessment of single-reference correlation methods Dutta A, Sherrill CD
1620 - 1633	Linear response functions for coupled cluster/molecular mechanics including polarization interactions Kongsted J, Osted A, Mikkelsen KV, Christiansen O
1634 - 1641	A mode-selective quantum chemical method for tracking molecular vibrations applied to functionalized carbon nanotubes Reiher M, Neugebauer J
1642 - 1648	Discovery of the optically forbidden S-1-S-0 transition of silylidene (H2C = Si) Smith TC, Evans CJ, Clouthier DJ
1649 - 1652	Rotational spectrum, dynamics, and bond energy of the floppy dimethylether center dot neon van der Waals complex Maris A, Caminati W
1653 - 1660	Ab initio potential energy surface for vibrational state calculations of H2CO Yagi K, Oyanagi C, Taketsugu T, Hirao K
1661 - 1666	Temperature dependence of the collisional energy transfer of OH(v=10) between 220 and 310 K Lacoursiere J, Dyer MJ, Copeland RA
1667 - 1672	The H-2-H complex: Interaction-induced dipole surface and infrared absorption spectra Gustafsson M, Frommhold L, Meyer W
1673 - 1678	A theoretical study of cis-trans isomerization in HONO using an empirical valence bond potential Guo Y, Thompson DL
1679 - 1683	Time delays in cold elastic scattering Field D, Madsen LB
1684 - 1687	Solvated electron in (H2O)(20)(-) and (H2O)(21)(-) clusters: A theoretical study Khan A
1688 - 1701	Mechanisms for the ozonolysis of ethene and propene: Reliability of quantum chemical predictions Chan WT, Hamilton IP
1702 - 1713	The valence-excited states T-1-T-4 and S-1-S-2 of acetylene: A high-level MR-CISD and MR-AQCC investigation of stationary points, potential energy surfaces, and surface crossings Ventura E, Dallos M, Lischka H
1714 - 1720	Multireference configuration interaction calculations of some low-lying states of positronium hydride Saito SL
1721 - 1728	Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions Watts JD, Francisco JS
1729 - 1734	Untrapped dynamics of molecules within an accelerating optical lattice Dong GJ, Lu WP, Barker PF
1735 - 1746	Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings Florio GM, Zwier TS, Myshakin EM, Jordan KD, Sibert EL
1747 - 1755	Electronic structure of isolated PtX62- (X=F,Cl,Br) dianions Sommerfeld T, Feuerbacher S, Pernpointner M, Cederbaum LS
1756 - 1760	Electron-impact ionization of the simple alcohols Rejoub R, Morton CD, Lindsay BG, Stebbings RF
1761 - 1772	Theoretical investigation of glycine-2Be(n+) (n=0,1,2) complexes in gas phase: Origin of negative dissociation energies Ai HQ, Bu YX, Chen ZD
1773 - 1778	Separating contributions from multiple structural isomers in anion photoelectron spectra: Al3O3- beam hole burning Akin FA, Jarrold CC
1779 - 1793	An ab initio study of the pathways for the reaction between CH3O2 and BrO radicals Guha S, Francisco JS
1794 - 1801	C-C bond fission pathways of chloroalkenyl alkoxy radicals Zhang D, Zhang RY, Allen DT
1802 - 1807	High-pressure spectroscopic probe of hydrophobic hydration of the methyl groups in dimethyl sulfoxide Chang HC, Jiang JC, Feng CM, Yang YC, Su CC, Chang PJ, Lin SH
1808 - 1814	Ultrafast excitation of out-of-plane vibrations and vibrational energy redistribution after internal conversion of 4-nitroaniline Kozich V, Werncke W, Vodchits AI, Dreyer J
1815 - 1820	The high-pressure chemistry of butadiene crystal Citroni M, Ceppatelli M, Bini R, Schettino V
1821 - 1827	Studying the affinity and kinetics of molecular association with molecular-dynamics simulation Zhang YK, McCammon JA
1828 - 1836	Dynamics of glass-forming liquids. VII. Dielectric relaxation of supercooled tris-naphthylbenzene, squalane, and decahydroisoquinoline Richert R, Duvvuri K, Duong LT
1837 - 1851	Thermodynamically consistent description of the work to form a nucleus of any size Kashchiev D
1852 - 1858	Equation of state for hard Gaussian overlap fluids de Miguel E, del Rio EM
1859 - 1862	On the validity of dielectric continuum models in application to solvation in molecular solvents Milischuk A, Matyushov DV
1863 - 1875	Phase diagrams for sonoluminescing bubbles: A comparison between experiment and theory Toegel R, Lohse D
1876 - 1882	Primary charge separation in the bacterial reaction center: Validity of incoherent sequential model Pudlak M
1883 - 1890	On the actinic wavelength dependence of OClO photochemistry in solution Wallace PM, Bolinger JC, Hayes SC, Reid PJ
1891 - 1903	On the structure of Lennard-Jones fluids confined in crystalline slitlike pores Patrykiejew A, Salamacha L, Sokolowski S
1904 - 1911	Chain-length-dependent change in the structure of self-assembled monolayers of n-alkanethiols on Au(111) probed by broad-bandwidth sum frequency generation spectroscopy Nishi N, Hobara D, Yamamoto M, Kakiuchi T
1912 - 1920	Infrared and Raman features of a series of alpha,omega-bis(arylthio)oligothiophenes as molecular wires. A pi-electron delocalization efficiency study Casado J, Hicks RG, Hernandez V, Myles DJT, Delgado MCR, Navarrete JTL
1921 - 1928	High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study Seijo L, Barandiaran Z
1929 - 1936	Kinetics of H-2 (D-2) desorption from a Ge(100)-2x1 : H (D) surface studied using scanning tunneling microscopy and temperature programmed desorption Lee JY, Maeng JY, Kim A, Cho YE, Kim S
1937 - 1944	Water structure and dynamics in phosphate fluorosurfactant based reverse micelle: A computer simulation study Senapati S, Berkowitz ML
1945 - 1956	Dielectric response of concentrated colloidal suspensions Carrique F, Arroyo FJ, Jimenez ML, Delgado AV
1957 - 1969	Molecular dynamics simulations of ionic concentration gradients across model bilayers Sachs JN, Petrache HI, Zuckerman DM, Woolf TB
1970 - 1978	Semiflexible random A-B block copolymers under tension Debnath P, Cherayil BJ
1979 - 1988	Can dendrimers be viewed as compact colloids? A simulation study of the fluctuations in a dendrimer of fourth generation Harreis HM, Likos CN, Ballauff M
1989 - 1995	Hydration structure of met-enkephalin: A molecular dynamics study Dudowicz J, Freed KF, Shen MY
1996 - 2004	Change in the temperature dependence of segmental dynamics in deeply supercooled polycarbonate Thurau CT, Ediger MD
2005 - 2009	Stokes-Einstein relations and the fluctuation-dissipation theorem in a supercooled colloidal fluid Bonn D, Kegel WK
2010 - 2015	Theory for the rate of contact formation in a polymer chain with local conformational transitions Zhou HX
2016 - 2017	The dissociation energy of BrCl and the equilibrium constant for its formation reaction in the gas phase Tellinghuisen J