Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.2 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (53 articles)

457 - 460	Analytic continuation for quantum nonadiabatic rate constants Golosov AA, Reichman DR, Rabani E
461 - 470	Connections between second-order Gorling-Levy and many-body perturbation approaches in density functional theory Ivanov S, Hirata S, Grabowski I, Bartlett RJ
471 - 486	Relativistic effects on the nuclear magnetic shielding tensor Melo JI, de Azua MCR, Giribet CG, Aucar GA, Romero RH
487 - 496	Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials Cao XY, Dolg M, Stoll H
497 - 504	Molecular motors driven by laser pulses: Role of molecular chirality and photon helicity Hoki K, Yamaki M, Koseki S, Fujimura Y
505 - 513	Analytical time-dependent Hartree-Fock evaluation of the dynamic zero-point vibrationally averaged (ZPVA) first hyperpolarizability Quinet O, Kirtman B, Champagne B
514 - 521	A discrete solvent reaction field model within density functional theory Jensen L, van Duijnen PT, Snijders JG
522 - 536	Linear response at the 4-component relativistic level: Application to the frequency-dependent dipole polarizabilities of the coinage metal dimers Saue T, Jensen HJA
537 - 549	Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)(n) (n=3,4) Salvador P, Szczesniak MM
550 - 556	Electronic and photophysical properties of C60Cl24 Coheur PF, Lievin J, Colin R, Razbirin B
557 - 564	A computational study of chlorofluoro-methyl radicals Schwartz M, Peebles LR, Berry RJ, Marshall P
565 - 568	Quantum mechanical and quasi-classical trajectory study of the C(D-1)+H-2 reaction dynamics Banares L, Aoiz FJ, Honvault P, Bussery-Honvault B, Launay JM
569 - 581	Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates: Periodic distributed approximating functional method for surface functions Zhang KM, Parker GA, Kouri DJ, Hoffman DK, Iyengar SS
582 - 594	Analytical fittings for the global potential energy surface of the ground state of methylene Yu JSK, Chen SY, Yu CH
595 - 599	Control of vibrational ionization branching through feedback-optimized tailored femtosecond laser pulses Hertz E, Nersisyan G, Papadogiannis NA, Charalambidis D
600 - 609	Photodissociation of the ArHBr complex investigated with the multiconfiguration time-dependent Hartree approach Trin J, Monnerville M, Pouilly B, Meyer HD
610 - 621	Theoretical investigation of the temperature dependence of the O+O-2 exchange reaction Fleurat-Lessard P, Grebenshchikov SY, Siebert R, Schinke R, Halberstadt N
622 - 632	CF A(2)Sigma(+)-X (2)Pi and B-2 Delta-X (2)Pi study by broadband absorption spectroscopy in a plasma etch reactor: Determination of transition probabilities, CF X-2 Pi concentrations, and gas temperatures Luque J, Hudson EA, Booth JP
633 - 642	Kinetic and mechanistic studies on the abstraction reactions of atomic O (P-3) with (CH3)(2)SiH2 and (CH3)(3)SiH Zhang QZ, Gu YS, Wang SK
643 - 658	Tunneling dynamics of the NH chromophore in NHD2 during and after coherent infrared excitation Marquardt R, Quack M, Thanopulos I, Luckhaus D
659 - 668	Intramolecular vibrational energy redistribution, mode specificity, and nonexponential unimolecular decay dynamics of vibrationally highly excited states of DCO ((X)over-tilde(2)A') Renth F, Temps F, Trollsch A
669 - 679	Rigorous calculation of electric field effects on the free energy change of the electron transfer reaction Seki K, Traytak SD, Tachiya M
680 - 689	Physical limit of stability in supercooled D2O and D2O+H2O mixtures Kiselev SB, Ely JF
690 - 705	Modeling velocity autocorrelation functions of confined fluids: A memory function approach Krishnan SH, Ayappa KG
706 - 710	Density inhomogeneities and electron mobility in supercritical xenon Holroyd RA, Itoh K, Nishikawa M
711 - 718	Basis set and electron correlation effects on ab initio electronic and vibrational nonlinear optical properties of conjugated organic molecules Torrent-Sucarrat M, Sola M, Duran M, Luis JM, Kirtman B
719 - 727	Relaxation of the structure of simple metal ion complexes in aqueous solutions at up to supercritical conditions Mayanovic RA, Jayanetti S, Anderson AJ, Bassett WA, Chou IM
728 - 735	Calculation of the melting point of NaCl by molecular simulation Anwar J, Frenkel D, Noro MG
736 - 745	The role of total pressure in gas-phase nucleation: A diffusion effect Suh SM, Girshick SL, Zachariah MR
746 - 759	Exciton exciton annihilation dynamics in chromophore complexes. I. Multiexciton density matrix formulation Bruggemann B, May V
760 - 767	Molecular beam study of CH4 oxidation on a Pt(111)-(2x2)-O surface Kondo T, Sasaki T, Yamamoto S
768 - 783	A kinetic theory of homogeneous bubble nucleation Shen VK, Debenedetti PG
784 - 791	Polymer crystallization on pre-patterned substrates Dorenbos G, Sommer JU, Reiter G
792 - 806	Homogeneous bubble nucleation in liquids: The classical theory revisited Delale CF, Hruby J, Marsik F
807 - 815	Inherent structures of crystalline pentacene Della Valle RG, Venuti E, Brillante A, Girlando A
816 - 829	Wetting of nanopatterned surfaces: The striped surface Schneemilch M, Quirke N, Henderson JR
830 - 842	Application of the fundamental measure density functional theory to the adsorption in cylindrical pores Figueroa-Gerstenmaier S, Blas FJ, Avalos JB, Vega LF
843 - 871	Microcanonical unimolecular rate theory at surfaces. I. Dissociative chemisorption of methane on Pt(111) Bukoski A, Blumling D, Harrison I
872 - 877	Nucleation of pores in amphiphile bilayers Talanquer V, Oxtoby DW
878 - 882	What causes the carbon nanotubes collapse in a chemical vapor deposition process Qian WZ, Wei F, Liu T, Wang ZW, Li YD
883 - 891	Collapse transition for isolated square-well chain molecules: The exact density of states for short chains Taylor MP
892 - 896	On the relation between the compressibility and the static structure factor of a fluid with a state-dependent pair-potential Tejero CF, Baus M
897 - 904	Effect of curvature and twist on the conformations of a fluctuating ribbon Kessler DA, Rabin Y
905 - 913	Thin films of asymmetric triblock copolymers: A Monte Carlo study Szamel G, Muller M
914 - 924	Role of intramolecular energy on polyolefin miscibility: Isotactic polypropylene/polyethylene blends Heine D, Wu DT, Curro JG, Grest GS
925 - 936	Brownian dynamics simulations of polymer stretching and transport in a complex electroosmotic flow Panwar AS, Kumar S
937 - 951	Collapse or swelling dynamics of homopolymer rings: Self-consistent Hartree approach Rostiashvili VG, Lee NK, Vilgis TA
952 - 958	Statistics, pathways and dynamics of single molecule protein folding Wang J
959 - 968	First-passage time distribution and non-Markovian diffusion dynamics of protein folding Lee CL, Stell G, Wang J
969 - 980	On the charge overcompensation of quenched polyelectrolyte stars electrostatically adsorbed onto a quenched oppositely charged planar surface Leermakers FAM, van den Oever JMP, Zhulina EB
981 - 994	The fundamental photophysics of conjugated oligomer herringbone aggregates Spano FC
995 - 995	Solid-fluid equilibrium in molecular models of n-alkanes (vol 110, pg 664, 1999) Malanoski AP, Monson PA
996 - 996	Fluorescence dynamics of phenylene substituted polyphenylenevinylene-trinitrofluorenone blend systems (vol 117, pg 1395, 2002) Im C, Lupton JM, Schouwink P, Heun S, Becker H, Baessler H