Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (52 articles)

9473 - 9476	Multiple liquid-liquid transitions in supercooled water Brovchenko I, Geiger A, Oleinikova A
9477 - 9480	Transport and focusing of highly vibrationally excited NO molecules Matsiev D, Chen J, Murphy M, Wodtke AM
9481 - 9484	Reduced scaling in electronic structure calculations using Cholesky decompositions Koch H, de Meras AS, Pedersen TB
9485 - 9488	Bond-breaking bifurcation states in carbon nanotube fracture Dumitrica T, Belytscko T, Yakobson BI
9489 - 9496	Vibrational analysis for the nuclear-electronic orbital method Iordanov T, Hammes-Schiffer S
9497 - 9503	Second-order Moller-Plesset calculations with dual basis sets Wolinski K, Pulay P
9504 - 9518	Asymptotic behavior of the exchange-correlation potentials from the linear-response Sham-Schluter equation Niquet YM, Fuchs M, Gonze X
9519 - 9527	Dressed basis for highly excited molecular vibrations Kellman ME, Dow MW, Tyng V
9528 - 9532	Accurate atomization energies and dipole moments from Ornstein-Uhlenbeck diffusion quantum Monte Carlo calculations for small first-row polyatomic molecules Lu SI
9533 - 9541	Biasing a transition state search to locate multiple reaction pathways Peters B, Liang WZ, Bell AT, Chakraborty A
9542 - 9551	Dynamical corrections to quantum transition state theory Cheney BG, Andersen HC
9552 - 9562	Efficient calculation of electron paramagnetic resonance g-tensors by multireference configuration interaction sum-over-state expansions, using the atomic mean-field spin-orbit method Brownridge S, Grein F, Tatchen J, Kleinschmidt M, Marian CM
9563 - 9571	A temperature-dependent nudged-elastic-band algorithm Crehuet R, Field MJ
9572 - 9581	Vibrational corrections to indirect nuclear spin-spin coupling constants calculated by density-functional theory Ruden TA, Lutnaes OB, Helgaker T, Ruud K
9582 - 9588	Vibrational dynamics of deuterium chloride in solid nitrogen probed by linear and nonlinear spectroscopy Broquier M, Crepin C, Cuisset A, Dubost H, Galaup JP, Roubin P
9589 - 9595	Structure and electronic spectroscopy of naphthalene-acenaphthene van der Waals dimer: Hole-burning, dispersed fluorescence, and quantum chemistry calculations Das A, Nandi CK, Chakraborty T
9596 - 9607	Theoretical absorption spectrum of the Ar-CO van der Waals complex Cacheiro JL, Fernandez B, Pedersen TB, Koch H
9608 - 9613	Excited states of the 3d transition metal monoxides Dai B, Deng KM, Yang JL, Zhu QS
9614 - 9622	Electronic structure of the 1,3,5-tridehydrobenzene triradical in its ground and excited states Slipchenko LV, Krylov AI
9623 - 9628	O-D bond dissociation from the 3s state of deuterated hydroxymethyl radical (CH2OD) Feng L, Demyanenko AV, Reisler H
9629 - 9636	Dynamics of hydrogen-HF complexes in helium nanodroplets Moore DT, Miller RE
9637 - 9642	Theoretical investigation of the lower bend-stretch states of the Cl-H2 anion complex and its isotopomers Alexander MH
9643 - 9652	The bound state spectrum of HOBr up to the dissociation limit: Evolution of saddle-node bifurcations Azzam T, Schinke R, Farantos SC, Joyeux M, Peterson KA
9653 - 9663	Complete description of linear molecule photoionization achieved by vector correlations using the light of a single circular polarization Lebech M, Houver JC, Lafosse A, Dowek D, Alcaraz C, Nahon L, Lucchese RR
9664 - 9671	Vibrational spectroscopy of HOD in liquid D2O. IV. Infrared two-pulse photon echoes Piryatinski A, Lawrence CP, Skinner JL
9672 - 9679	Vibrational spectroscopy of HOD in liquid D2O. V. Infrared three-pulse photon echoes Piryatinski A, Lawrence CP, Skinner JL
9680 - 9688	Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations Agrawal PM, Rice BM, Thompson DL
9689 - 9696	Molecular simulation of a hydrated electron at different thermodynamic state points Nicolas C, Boutin A, Levy B, Borgis D
9697 - 9703	Excluded volume effect on diffusion-influenced reactions in one dimension Park J, Kim H, Shin KJ
9704 - 9709	Spectroscopy of mass-selected VCo and VFe in argon matrices Zhao B, Lu HY, Likhtina I, Jules J, Lombardi JR
9710 - 9718	Isomers of Ge2N2: Production and infrared absorption of GeNNGe in solid N-2 Bahou M, Sankaran K, Wu YJ, Lee YP, Rayner D, Simard B
9719 - 9725	Hydration structure and diffusion of ions in supercooled water: Ion size effects Chowdhuri S, Chandra A
9726 - 9746	Solvent-mediated interactions and solvation close to fluid-fluid phase separation: A density functional treatment Archer AJ, Evans R
9747 - 9761	Theoretical calculations of effective exchange integrals by spin projected and unprojected broken-symmetry methods. I. Cluster models of K2NiF4-type solids Onishi T, Yamaki D, Yamaguchi K, Takano Y
9762 - 9768	Assessing a microcanonical theory of gas-surface reactivity: Applicability to thermal equilibrium, nonequilibrium, and eigenstate-resolved dissociation of methane on Ni(100) Bukoski A, Harrison I
9769 - 9772	Discrete electron forces in a nanoparticle-tunnel junction system Suganuma Y, Trudeau PE, Dhirani AA, Leathem B, Shieh B
9773 - 9782	CO adsorption on the multiple-site Ru(11(2)over-bar1) surface: The role of bonding competition Fan CY, Bonzel HP, Jacobi K
9783 - 9794	A simple and realistic model system for studying hydrogen bonds in beta-sheets Rossmeisl J, Hinnemann B, Jacobsen KW, Norskov JK, Olsen OH, Pedersen JT
9795 - 9801	Molecular dynamics study of shock-induced chemistry in small condensed-phase hydrocarbons Elert ML, Zybin SV, White CT
9802 - 9808	Density distribution for a self-interacting polymer adsorbed at an oil-water interface Cai J, Prausnitz JM
9809 - 9813	Thiophene thiol on the Au(111) surface: Size-dependent adsorption study Majumder C, Mizuseki H, Kawazoe Y
9814 - 9823	Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times Toubin C, Picaud S, Hoang PNM, Girardet C, Lynden-Bell RM, Hynes JT
9824 - 9829	Three-dimensional optical polarization tomography of single molecules Prummer M, Sick B, Hecht B, Wild UP
9830 - 9837	Hydrodynamic effects on phase separation of binary mixtures with reversible chemical reaction Huo YL, Jiang XL, Zhang HD, Yang YL
9838 - 9853	Nucleation and growth of polytypic-layered crystals from the network liquid zinc chloride Wilson M
9854 - 9860	Influence of cross-linking density on volume phase transition of liquid crystalline gels in a nematogenic solvent Okuno Y, Urayama K, Kohjiya S
9861 - 9863	Localizations of junction points of ABC 3-miktoarm star terpolymers He XH, Huang L, Liang HJ, Pan CY
9864 - 9874	Writhing geometry of open DNA Rossetto V, Maggs AC
9875 - 9881	Chain model of a magnetorheological suspension in a rotating field Melle S, Martin JE
9882 - 9889	Fluid-fluid coexistence in colloidal systems with short-ranged strongly directional attraction Kern N, Frenkel D
9890 - 9898	Kinetics and chemomechanical properties of the F-1-ATPase molecular motor Liu MS, Todd BD, Sadus RJ
9899 - 9899	A method for evaluating multicanonical potential function without iterative refinement: Application to conformational sampling of a globular protein in water (vol 118, pg 4306, 2003) Terada T, Matsuo Y, Kidera A