Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (59 articles)

1443 - 1446	Coherent optical control over collective vibrations traveling at lightlike speeds Koehl RM, Nelson KA
1447 - 1453	Correct dissociation behavior of radical ions such as H-2(+) in density functional calculations Chermette H, Ciofini I, Mariotti F, Daul C
1454 - 1466	A semiclassical approach to the dynamics of many-body Bose/Fermi systems by the path integral centroid molecular dynamics Kinugawa K, Nagao H, Ohta K
1467 - 1472	A single Lanczos propagation method for calculating transition amplitudes. II. Modified QL and symmetry adaptation Chen RQ, Guo H
1473 - 1477	A symmetry-adapted Lanczos method for calculating energy levels with different symmetries from a single set of iterations Wang XG, Carrington T
1478 - 1490	Relativistic dynamics of two spin-half particles in a homogenous magnetic field Datta SN, Misra A
1491 - 1496	Improved algorithm for corner-cutting tunneling calculations Fernandez-Ramos A, Truhlar DG
1497 - 1504	Efficiency of different numerical methods for solving Redfield equations Kondov I, Kleinekathofer U, Schreiber M
1505 - 1509	Spin correlation function of benzene and naphthalene from spin-coupled wave functions Bomfleur B, Voitlander J, Sironi M, Raimondi M
1510 - 1523	Interplay of non-Markovian relaxation and ultrafast optical state preparation in molecular systems: The Laguerre polynomial method Mancal T, May V
1524 - 1533	Quantum dynamics using pseudo-particle trajectories: A new approach based on the multiconfiguration time-dependent Hartree method Worth GA
1534 - 1538	Dimers of alkaline earth metal halide radicals, (MX)(2) (M=Be, Mg, Ca; X=F, Cl): A theoretical study Li GP, Hamilton IP
1539 - 1548	Preference of cluster isomers as a result of quantum delocalization: Potential energy surfaces and intermolecular vibrational states of Ne center dot center dot center dot HBr, Ne center dot center dot center dot HI, and HI(Ar)(n) (n=1-6) Slavicek P, Roeselova M, Jungwirth P, Schmidt B
1549 - 1558	Quantum-classical correspondence in the O(P-3) plus HCl and Cl(P-2) plus OH reactions for total angular momentum J=0 Lin YJ, Ramachandran B, Nobusada K, Nakamura H
1559 - 1566	Infrared spectra and density functional calculations of platinum hydrides Andrews L, Wang XF, Manceron L
1567 - 1574	Double proton transfer in the complex of acetic acid with methanol: Theory versus experiment Fernandez-Ramos A, Smedarchina Z, Rodriguez-Otero J
1575 - 1581	Locally designed pulse shaping for selective preparation of enantiomers from their racemate Hoki K, Otsuki Y, Fujimura Y
1582 - 1588	Tautomerism of 6-thioxanthine in the gas and aqueous phases using AM1 and PM3 methods Civcir PU
1589 - 1600	Ground and valence excited states of C2N and CN2 transients: Ab initio geometries, electronic structures, and molecular properties Pd R, Chandra P
1601 - 1616	Quantum wavepacket method for state-to-state reactive cross sections Althorpe SC
1617 - 1623	Photodissociation dynamics of CBrCIF2 at 157.6 nm. I. Experimental study using photofragment translational spectroscopy Yokoyama A, Yokoyama K, Takayanagi T
1624 - 1630	Photodissociation dynamics of CBrClF2 at 157.6 nm. II. A theoretical study using wave packet propagation Yokoyama K, Yokoyama A, Takayanagi T
1631 - 1644	S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. I. Electronic structure calculations Woywod C, Livingood WC, Frederick JH
1645 - 1662	S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra Woywod C, Livingood WC, Frederick JH
1663 - 1671	Reactions at suprathreshold energy: Evidence of a kinematic limit to the internal energy of the products Picconatto CA, Srivastava A, Valentini JJ
1672 - 1684	An experimental and ab initio reinvestigation of the Lyman-alpha photodissociation of H2S and D2S Cook PA, Langford SR, Dixon RN, Ashfold MNR
1685 - 1692	The role of rotation in the calculated ultraviolet photodissociation spectrum of ozone Alacid M, Leforestier C
1693 - 1699	A first principle effective Hamiltonian for including nonadiabatic effects for H-2(+) and HD+ Schwenke DW
1700 - 1708	Nonadiabatic transition-state theory: A Monte Carlo study of competing bond fission processes in bromoacetyl chloride Marks AJ
1709 - 1715	Separation of spin-orbit coupled metastable states of Kr+ and Xe+ by ion mobility Bluhm BK, North SW, Russell DH
1716 - 1719	Sequential ionization of C-60 with femtosecond laser pulses Campbell EEB, Hoffmann K, Rottke H, Hertel IV
1720 - 1726	Formation of ammonium halide particles from pure ammonia and hydrogen halide gases: A theoretical study on small molecular clusters (NH3-HX)(n) (n=1, 2, 4; X = F, Cl, Br) Cherng B, Tao FM
1727 - 1731	Phase equilibria and clustering in size-asymmetric primitive model electrolytes Yan QL, de Pablo JJ
1732 - 1744	Path-integral Monte Carlo study of the structural and mechanical properties of quantum fee and bcc hard-sphere solids Sese LM
1745 - 1753	Analytical model of the fluorescence fluctuation spectroscopy experiment Novikov E, Boens N
1754 - 1762	Integral encounter theories of multistage reactions. I. Kinetic equations Ivanov KL, Lukzen NN, Doktorov AB, Burshtein AI
1763 - 1774	Integral encounter theories of multistage reactions. II. Reversible inter-molecular energy transfer Ivanov KL, Lukzen NN, Doktorov AB, Burshtein AI
1775 - 1784	Electronic structures and dynamics of the excited triplet states of alpha,omega-diphenylpolyynes Nagano Y, Ikoma T, Akiyama K, Tero-Kubota S
1785 - 1790	Sequential quenching of square-well particles Danwanichakul P, Glandt ED
1791 - 1796	Water structure changes induced by hydrophobic and polar solutes revealed by simulations and infrared spectroscopy Sharp KA, Madan B, Manas E, Vanderkooi JM
1797 - 1802	Temperature-independent hole mobility in discotic liquid crystals Kreouzis T, Donovan KJ, Boden N, Bushby RJ, Lozman OR, Liu Q
1803 - 1806	Energy gap of a molecularly doped polymer measured by a new method of electron spectroscopy: Measurement of charge transfer force Manabe C, Shigematsu T, Watanabe H, Shimizu M
1807 - 1812	Direct observation of graphite layer edge states by scanning tunneling microscopy Giunta PL, Kelty SP
1813 - 1822	Formation of quantum-dot quantum-well heteronanostructures with large lattice mismatch: ZnS/CdS/ZnS Little RB, El-Sayed MA, Bryant GW, Burke S
1823 - 1830	Secondary ion emission from Ar, Kr, Xe, N-2, O-2, CO, and SF6 adsorbed on Pt(111): Relation between neutralization of sputtered ions and bond nature of adsorbates Souda R
1831 - 1836	Frictional properties of thin chain alcohol films Mugele F, Salmeron M
1837 - 1843	Structure of the acetone liquid/vapor interface Yeh YL, Zhang C, Held H, Mebel AM, Wei X, Lin SH, Shen YR
1844 - 1850	Low-energy electron-induced processes in condensed CF2Cl2 films Hedhili MN, Lachgar M, Le Coat Y, Azria R, Tronc M, Lu QB, Madey TE
1851 - 1859	Effect of confinement on chemical reaction equilibria: The reactions 2NO <->(NO)(2) and N-2+3H(2)<-> 2NH(3) in carbon micropores Turner CH, Johnson JK, Gubbins KE
1860 - 1865	Relativistic effects on the optical response of InSb by time-dependent density-functional theory Kootstra F, de Boeij PL, Aissa H, Snijders JG
1866 - 1869	Aluminum doping of poly(vinylidene fluoride with trifluoroethylene) copolymer Xu B, Borca CN, Ducharme S, Sorokin AV, Dowben PA, Fridkin VM, Palto SP, Petukhova NN, Yudin SG
1870 - 1875	Theory and experiment of coherent wave packet dynamics in rare earth solids: Absorption spectrum vs femtosecond fringe-resolved interferogram Luo Q, Dai DC, Wang GQ, Ninulescu V, Yu XY, Luo L, Zhou JY, Yang YJ
1876 - 1886	Polyisoprene local dynamics in solution: Comparison between molecular dynamics simulations and high order diffusion theory La Penna G, Carbone P, Carpentiero R, Rapallo A, Perico A
1887 - 1891	Examining the rheology of 9-octylheptadecane to giga-pascal pressures McCabe C, Cui ST, Cummings PT, Gordon PA, Saeger RB
1892 - 1905	Protein-membrane electrostatic interactions: Application of the Lekner summation technique Juffer AH, Shepherd CM, Vogel HJ
1906 - 1914	Sequence design in lattice models by graph theoretical methods Sanjeev BS, Patra SM, Vishveshwara S
1915 - 1931	Perturbative polydispersity: Phase equilibria of near-monodisperse system Evans RML
1932 - 1943	Chemoconvection: A chemically driven hydrodynamic instability Bees MA, Pons AJ, Sorensen PG, Saques F
1944 - 1944	A relationship between centroid dynamics and path integral quantum transition state theory (vol 112, pg 8747, 2000) Jang S, Voth GA