Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.13 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (49 articles)

5701 - 5703	Dynamic crossover in supercooled liquids induced by high pressure Casalini R, Paluch M, Roland CM
5704 - 5717	Interionic potentials from ab initio molecular dynamics: The alkaline earth oxides CaO, SrO, and BaO Aguado A, Bernasconi L, Madden PA
5718 - 5728	Oxide potentials from ab initio molecular dynamics: An assessment of their transferability Aguado A, Madden PA
5729 - 5735	Quantum soliton dynamics in vibrational chains: Comparison of fully correlated, mean field, and classical dynamics Neuhauser D, Baer R, Kosloff R
5736 - 5745	Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method Li SH, Ma J, Jiang YS
5746 - 5753	Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation Yates JR, Pickard CJ, Payne MC, Mauri F
5754 - 5758	A realistic chemical system presenting a self-organized critical behavior Gaveau B, Latremoliere D, Moreau M
5759 - 5768	Generating generalized distributions from dynamical simulation Barth EJ, Laird BB, Leimkuhler BJ
5769 - 5775	Equilibrium free energies from path sampling of nonequilibrium trajectories Sun SX
5776 - 5792	The analytical energy gradient scheme in the Gaussian based Hartree-Fock and density functional theory for two-dimensional systems using the fast multipole method Tobita M, Hirata S, Bartlett RJ
5793 - 5801	Structure effects on the energetic, electronic, and magnetic properties of palladium nanoparticles Zhang WQ, Ge QF, Wang LC
5802 - 5810	Jahn-Teller triplet excited state structures and spectra of zinc complexes of porphyrin and phthalocyanine: A density functional theory study Nguyen KA, Pachter R
5811 - 5820	Theoretical investigation on the valence ionization spectra of Cl2O, ClOOCl, and F2O by correlation-based configuration interaction methods Tomasello P, Ehara M, Nakatsuji H
5821 - 5830	Absolute chlorine and hydrogen atom quantum yield measurements in the 193.3 nm photodissociation of CH3CFCl2 (HCFC-141b) Lauter A, Suresh D, Volpp HR
5831 - 5840	Wave packet dynamics along bifurcating reaction paths Lasorne B, Dive G, Lauvergnat D, Desouter-Lecomte M
5841 - 5851	Addition of water and methanol to Al3O3- studied by mass spectrometry and anion photoelectron spectroscopy Akin FA, Jarrold CC
5852 - 5861	Semiclassical estimation of Franck-Condon factors and transition rates for vertical and nonvertical transitions Sergeev AV, Segev B
5862 - 5871	Ionization potentials and structures of small indium monoxide clusters Janssens E, Neukermans S, Vanhoutte F, Silverans RE, Lievens P, Navarro-Vazquez A, Schleyer PV
5872 - 5879	A spin-orbit coupling study on the spin inversion processes in the direct methane-to-methanol conversion by FeO+ Shiota Y, Yoshizawa K
5880 - 5893	Theoretical investigation of Jahn-Teller and pseudo-Jahn-Teller interactions in the ammonia cation Woywod C, Scharfe S, Krawczyk R, Domcke W, Koppel H
5894 - 5900	Absolute cross sections for electron-impact ionization of N2O, H2S, and CS2 from threshold to 1000 eV Lindsay BG, Rejoub R, Stebbings RF
5901 - 5910	Cavity formation and preferential interactions in urea solutions: Dependence on urea aggregation Weerasinghe S, Smith PE
5911 - 5915	Poiseuille advection of chemical reaction fronts: Eikonal approximation Spangler RS, Edwards BF
5916 - 5931	Solvent effects on the ultrafast dynamics and spectroscopy of the charge-transfer-to-solvent reaction of sodide Barthel ER, Martini IB, Keszei E, Schwartz BJ
5932 - 5936	Rectification of thermodynamic inequalities Ben-Amotz D, Honig JM
5937 - 5946	Transitions in ZnS and CdSe quantum dots and wave-function symmetry Zorman B, Friesner RA
5947 - 5954	Critical behaviors of the sound attenuation in a spin-1 Ising model Keskin M, Erdem R
5955 - 5963	Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations Martins LR, Tamashiro A, Laria D, Skaf MS
5964 - 5970	The self-association of acebutolol: Conductometry and light scattering Ruso JM, Lopez-Fontan JL, Prieto G, Sarmiento F
5971 - 5978	Diffusive relaxation processes and low-frequency dynamical properties in bulk and confined ethylene glycol by neutron spectroscopy Crupi V, Majolino D, Migliardo P, Venuti V
5979 - 5986	Glassy states of clusters with pairwise atomic interactions Berry RS, Smirnov BM
5987 - 5994	Hydrogen bonding in solid ammonia from ab initio calculations Fortes AD, Brodholt JP, Wood IG, Vocadlo L
5995 - 6002	Picosecond absorption saturation dynamics in neutral [M(R,R' timdt)(2)] metal-dithiolenes Cassano T, Tommasi R, Nitti L, Aragoni MC, Arca M, Denotti C, Devillanova FA, Isaia F, Lippolis V, Lelj F, Romaniello P
6003 - 6007	Effects of the diffusion of subsurface O atoms on the transient yielding of CO2 D'Ajello PCT, Hauser PR, Figueiredo W
6008 - 6016	Phase behavior of symmetric binary mixture with partially miscible components in slitlike pores: Density functional approach Martinez A, Pizio O, Sokolowski S
6017 - 6021	Electron paramagnetic resonance and quantum-mechanical analysis of binuclear niobium clusters in lithium-niobium phosphate glasses Rakhimov RR, Turney VJ, Jones DE, Dobryakov SN, Borisov YA, Prokof'ev AI, Aleksandrov AI
6022 - 6029	Density-functional theory studies of xanthate adsorption on the pyrite FeS2(110) and (111) surfaces Hung A, Yarovsky I, Russo SP
6030 - 6037	Theoretical analysis of the coverage dependence of enantioselective chemisorption on a chirally templated surface Roma F, Zgrablich G, Stacchiola D, Tysoe WT
6038 - 6045	The first in situ Li-7 nuclear magnetic resonance study of lithium insertion in hard-carbon anode materials for Li-ion batteries Letellier M, Chevallier F, Clinard C, Frackowiak E, Rouzaud JN, Beguin F, Morcrette M, Tarascon JM
6046 - 6051	Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO3 Remediakis IN, Kaxiras E, Chen M, Friend CM
6052 - 6058	Molecular dynamics in grafted layers of poly(dimethylsiloxane) Hartmann L, Kremer F, Pouret P, Leger L
6059 - 6071	Structural investigation of glycine on Cu(100) and comparison to glycine on Cu(110) Kang JH, Toomes RL, Polcik M, Kittel M, Hoeft JT, Efstathiou V, Woodruff DP, Bradshaw AM
6072 - 6082	Vibronic effects in off-resonant molecular wire conduction Troisi A, Ratner MA, Nitzan A
6083 - 6088	Adsorption structure of 2-butyne on Si(100)-(2x1) Kim KY, Kim JH, Cho JH, Kleinman L, Kang H
6089 - 6097	Theoretical and experimental study of the chemisorption of 1,3 disilabutane on the Si(100) surface Valente G, Stoldt CR, Maboudian R, Carraro C
6098 - 6101	On the role of connectivity in the relative stability of crystal types for model polymeric solids Sushko N, van der Schoot P, Michels MAJ
6102 - 6109	Origin of scaling behavior of protein packing density: A sequential Monte Carlo study of compact long chain polymers Zhang JF, Chen R, Tang C, Liang J
6110 - 6119	Apparent exponents for the chain length dependence of the volume fraction in critical polymer solutions Yelash LV, Kraska T, Imre AR, Rzoska SJ
6120 - 6120	Effects of nucleation transcience on crystallization kinetics under strongly nonequilibrium conditions (vol 117, pg 10739, 2002) Demetriou MD, Ghoniem NM, Lavine AS