Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (39 articles)

1649 - 1654	Evaluation of multicenter one-electron integrals of noninteger u screened Coulomb type potentials and their derivatives over noninteger n Slater orbitals Guseinov II, Mamedov BA
1655 - 1662	Approximate generation of full-dimensional ab initio van der Waals surfaces for high-resolution spectroscopy Jankowski P
1663 - 1669	Sign-consistent dynamical couplings between ab initio three-center wave functions Errea LF, Fernandez L, Macias A, Mendez L, Rabadan I, Riera A
1670 - 1675	Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies Musial M, Bartlett RJ
1676 - 1680	Quantum tunneling dynamics in multidimensional systems: A matching-pursuit description Wu YH, Batista VS
1681 - 1689	Anharmonic quantum contribution to vibrational dephasing Barik D, Ray DS
1690 - 1703	Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. II. Construction and optimization Poirier B, Salam A
1704 - 1724	Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. III. Representations and calculations Poirier B, Salam A
1725 - 1735	Electron pair localization function: A practical tool to visualize electron localization in molecules from quantum Monte Carlo data Scemama A, Chaquin P, Caffarel M
1736 - 1743	Theoretical investigation of substituted anthraquinone dyes Jacquemin D, Preat J, Charlot M, Wathelet V, Andre JM, Perpete EA
1744 - 1753	Intermolecular interaction in an open-shell pi-bound cationic complex: IR spectrum and coupled cluster calculations for C2H2+-Ar Dopfer O, Olkhov RV, Mladenovic M, Botschwina P
1754 - 1764	Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: Ballistic energy transport through molecular chains Schwarzer D, Kutne P, Schroder C, Troe J
1765 - 1770	Ultrafast predissociation-dynamics of water molecules excited to the electronic (C)over-tilde and (D)over-tilde states Steinkellner O, Noack F, Ritze HH, Radloff W, Hertel IV
1771 - 1781	Theoretical determination of highly excited states of K-2 correlated adiabatically above K(4p)+K(4p) Magnier S, Aubert-Frecon M, Allouche AR
1782 - 1789	Theoretical investigations of the N2H2+ cation and of its reactivity Palaudoux J, Hochlaf M
1790 - 1795	Electron collisions with trifluorides: BF3 and PF3 molecules Szmytkowski C, Piotrowicz M, Domaracka A, Klosowski L
1796 - 1801	Photoassociation spectroscopy of ultracold Cs below the 6P(1/2) limit Pichler M, Chen HM, Stwalley WC
1802 - 1809	Quantum treatment of the Ar-Hl photodissociation dynamics Lopez-Lopez S, Prosmiti R, Garcia-Vela A
1810 - 1823	Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity Chau FT, Mok DKW, Lee EPF, Dyke JM
1824 - 1829	Calculation of the photodetachment cross sections of the HCN- and HNC-dipole-bound anions as described by a one-electron Drude model Sindelka M, Spirko V, Jungwirth P, Wang F, Mahalakshmi S, Jordan KD
1830 - 1838	Dissociation of the ground state vinoxy radical and its photolytic precursor chloroacetaldehyde: Electronic nonadiabaticity and the suppression of the H+ketene channel Miller JL, McCunn LR, Krisch MJ, Butler LJ, Shu J
1839 - 1848	Formation of HXeO in a xenon matrix: Indirect evidence of production, trapping, and mobility of XeO (1 (1)Sigma(+)) in solid Xe Kiviniemi T, Pettersson M, Khriachtchev L, Rasanen M, Runeberg N
1849 - 1865	Theoretical calculations of infrared absorption, vibrational circular dichroism, and two-dimensional vibrational spectra of acetylproline in liquids water and chloroform Hahn S, Lee H, Cho M
1866 - 1872	Thermal conductivity, thermal effusivity, and specific heat capacity near the lower critical point of the binary liquid mixture n-butoxyethanol-water Pittois S, Van Roie B, Glorieux C, Thoen J
1873 - 1877	Theory of excluded volume equation of state: Higher approximations and new generation of equations of state for entire density range Rusanov AI
1878 - 1882	Relationship between cohesive energy density and hydrophobicity Graziano G
1883 - 1889	Electronic structure of crystalline copper phthalocyanine Lozzi L, Santucci S, La Rosa S, Delley B, Picozzi S
1890 - 1900	Pores in bilayer membranes of amphiphilic molecules: Coarse-grained molecular dynamics simulations compared with simple mesoscopic models Loison C, Mareschal M, Schmid F
1901 - 1909	Scattering of O-2 from Al(111) Ambaye H, Manson JR, Weisse O, Wesenberg C, Binetti M, Hasselbrink E
1910 - 1916	Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates Mitchell MC, Gallo M, Nenoff TM
1917 - 1927	The density distributions of the counterions and the coions confined in two similarly charged plates Li CL, Ma HR
1928 - 1937	Electric-field driven director oscillations in a nematic liquid crystal: A NMR investigation Luckhurst GR, Miyamoto T, Sugimura A, Timimi BA, Zimmermam H
1938 - 1948	Investigating the dominant corrections to the strong-stretching theory for dry polymeric brushes Matsen MW
1949 - 1961	Interactions between spherical colloids mediated by a liquid crystal: A molecular simulation and mesoscale study Kim EB, Guzman O, Grollau S, Abbott NL, de Pablo JJ
1962 - 1968	Effect of solvent quality on the conformations of a model comb polymer Sheng YJ, Cheng KL, Ho CC
1969 - 1977	A computer simulation study of water drying at the interface of protein chains Huang Q, Ding SW, Hua CY, Yang HC, Chen CL
1978 - 1983	Protein and solvent dynamics: How strongly are they coupled? Caliskan G, Mechtani D, Roh JH, Kisliuk A, Sokolov AP, Azzam S, Cicerone MT, Lin-Gibson S, Peral I
1984 - 2000	Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts Schweizer KS, Saltzman EJ
2001 - 2009	Universal scaling, dynamic fragility, segmental relaxation, and vitrification in polymer melts Saltzman EJ, Schweizer KS