Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.2 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (68 articles)

513 - 515	Bias in the temperature of helium nanodroplets measured by an embedded rotor Lehmann KK
516 - 523	From transition paths to transition states and rate coefficients Hummer G
524 - 539	The impact of the self-interaction error on the density functional theory description of dissociating radical cations: Ionic and covalent dissociation limits Grafenstein J, Kraka E, Cremer D
540 - 547	A reinterpretation of the nature of the Fermi hole Ludena EV, Ugalde JM, Lopez X, Fernandez-Rico J, Ramirez G
548 - 561	Mapped grid methods for long-range molecules and cold collisions Willner K, Dulieu O, Masnou-Seeuws F
562 - 573	Fast vibrational self-consistent field calculations through a reduced mode-mode coupling scheme Benoit DM
574 - 578	Spectral differences in real-space electronic structure calculations Jordan DK, Mazziotti DA
579 - 589	Semiclassical representations of electronic structure and dynamics Van Voorhis T, Reichman DR
590 - 602	Design and application of a multicoefficient correlation method for dispersion interactions Giese TJ, York DM
603 - 611	A new method for solving the quantum hydrodynamic equations of motion: Application to two-dimensional reactive scattering Pauler DK, Kendrick BK
612 - 622	Mode-specific photoelectron scattering effects on CO2+(C (2)Sigma(+)(g)) vibrations Rathbone GJ, Poliakoff ED, Bozek JD, Lucchese RR, Lin P
623 - 630	Variational transition state theory calculations for the rate constants of the hydrogen scrambling and the dissociation of BH5 using the multiconfiguration molecular mechanics algorithm Kim KH, Kim Y
631 - 637	The ground-state tunneling splitting of various carboxylic acid dimers Tautermann CS, Voegele AF, Liedl KR
638 - 646	Potential energy curves of diatomic molecular ions from high-resolution photoelectron spectroscopy. I. The first six electronic states of Ar-2(+) Wuest A, Merkt F
647 - 659	High-level ab initio computations of structures and interaction energies of naphthalene dimers: Origin of attraction and its directionality Tsuzuki S, Honda K, Uchimaru T, Mikami M
660 - 668	Photodissociation dynamics of the Kr-HBr cluster: The effect of the rare gas atom substitution Lopez-Lopez S, Garcia-Vela A
669 - 676	Many-body effects in molecular photoionization in intense laser fields; time-dependent Hartree-Fock simulations Suzuki M, Mukamel S
677 - 684	Structures of mixed gold-silver cluster cations (AgmAun+,m plus n < 6): Ion mobility measurements and density-functional calculations Weis P, Welz O, Vollmer E, Kappes MM
685 - 690	Dipole-bound anions of highly polar molecules: Ethylene carbonate and vinylene carbonate Hammer NI, Hinde RJ, Compton RN, Diri K, Jordan KD, Radisic D, Stokes ST, Bowen KH
691 - 703	Spectroscopy of highly excited vibrational states of HCN in its ground electronic state Martinez RZ, Lehmann KK, Carter S
704 - 709	Electron attachment to chlorouracil: A comparison between 6-ClU and 5-ClU Denifl S, Matejcik S, Ptasinska S, Gstir B, Probst M, Scheier P, Illenberger E, Mark TD
710 - 720	Intermolecular potential and second virial coefficient of the water-hydrogen complex Hodges MP, Wheatley RJ, Schenter GK, Harvey AH
721 - 730	Characterization of hydrated Na+(phenol) and K+(phenol) complexes using infrared spectroscopy Vaden TD, Lisy JM
731 - 739	Crossed beams and theoretical studies of the O(P-3)+CH4 -> H+OCH3 reaction excitation function Troya D, Schatz GC, Garton DJ, Brunsvold AL, Minton TK
740 - 748	Effects of pulse strength, width, and sample spinning speed on the spectral spin diffusion of multiquantum coherences of spin-3/2 quadrupolar nuclei Liu ZH, Deng F, Ding SW
749 - 755	Molecular electrostatic potentials and electron densities in nitroazacubanes Dhumal NR, Patil UN, Gejji SP
756 - 766	Reaction of Cu+ with dimethoxyethane: Competition between association and multiple dissociation channels Koizumi H, Muntean F, Armentrout PB
767 - 777	Superexcited state reconstruction of HCl using photoelectron and photoion imaging Romanescu C, Manzhos S, Boldovsky D, Clarke J, Loock HP
778 - 780	Vibrational branching ratios in photoionization of CO and N-2 Rathbone GJ, Rao RM, Poliakoff ED, Wang K, McKoy V
781 - 790	An overlap expansion method for improving ab initio model potentials: Anisotropic intermolecular potentials of N-2, CO, and C2H2 with He-*(2 S-3) Maeda S, Yamazaki M, Kishimoto N, Ohno K
791 - 799	Bond and mode selectivity in the reaction of atomic chlorine with vibrationally excited CH2D2 Bechtel HA, Kim ZH, Camden JP, Zare RN
800 - 812	Simulation of the reactive scattering of F+D-2 on a model family of potential energy surfaces with various topographies: The correlation approach Rusin LY, Sevryuk MB, Toennies JP
813 - 822	A different approach for calculating Franck-Condon factors including anharmonicity Luis JM, Bishop DM, Kirtman B
823 - 828	The binding energies of the D-2d and S-4 water octamer isomers: High-level electronic structure and empirical potential results Xantheas SS, Apra E
829 - 838	Molecular dynamics simulation of liquid N2O4 reversible arrow 2NO(2) by orientation-sensitive pairwise potential. III. Reaction dynamics Kato T
839 - 844	Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with molecules Chen XH, Zhang DW, Zhang JZH
845 - 856	Measurement and dynamics of the spatial distribution of an electron localized at a metal-dielectric interface Bezel I, Gaffney KJ, Garrett-Roe S, Liu SH, Miller AD, Szymanski P, Harris CB
857 - 873	Classification of secondary relaxation in glass-formers based on dynamic properties Ngai KL, Paluch M
874 - 884	The effects of solute-solvent electrostatic interactions on solvatochromic shifts in supercritical CO2 Nugent S, Ladanyi BM
885 - 897	Rotation-libration and rotor-rotor coupling in 4-methylpyridine Neumann MA, Plazanet M, Johnson MR, Trommsdorff HP
898 - 902	On combining molecular dynamics and stochastic dynamics simulations to compute reaction rates in liquids Guo Y, Thompson DL
903 - 911	Implicit solvation based on generalized Born theory in different dielectric environments Feig M, Im W, Brooks CL
912 - 917	Optical pump-terahertz probe spectroscopy of dyes in solutions: Probing the dynamics of liquid solvent or solid precipitate? Kadlec F, Kadlec C, Kuzel P, Slavicek P, Jungwirth P
918 - 925	Vibrational relaxation in methyl hydrocarbons at high temperatures: Propane, isobutene, isobutane, neopentane, and toluene Kiefer JH, Sahukar GC, Santhanam S, Srinivasan NK, Tranter RS
926 - 938	Classical density functional theory of orientational order at interfaces: Application to water Jaqaman K, Tuncay K, Ortoleva PJ
939 - 946	Monte Carlo molecular simulation of the hydration of Na-montmorillonite at reservoir conditions de Pablo L, Chavez ML, Sum AK, de Pablo JJ
947 - 953	Electrokinetic microfluidic phenomena by a lattice Boltzmann model using a modified Poisson-Boltzmann equation with an excluded volume effect Li BM, Kwok DY
954 - 960	Ground state and phase transitions in a system of arg-cysteamines self-assembled on a Au(111) crystal surface Sadreev AF, Sukhunin YV, Petoral RM, Uvdal K
961 - 967	Magnetic interactions in calcium and sodium ladder vanadates de Graaf C, Hozoi L, Broer R
968 - 978	Negative ion formation in electron-stimulated desorption of CF2Cl2 coadsorbed with polar NH3 on Ru(0001) Solovev S, Kusmierek DO, Madey TE
979 - 987	Surface reaction mechanisms of hydrazine on Si(100)-2x1 surface: NH3 desorption pathways Lim C, Choi CH
988 - 997	Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110): A density functional theory study Rasmussen MD, Molina LM, Hammer B
998 - 1005	Solution stability and variability in a simple model of globular proteins Sear RP
1006 - 1016	Electron-phonon interactions in charged cubic fluorocarbon cluster, (CF)(8) Kato T, Yamabe T
1017 - 1030	The structure of fluids confined in crystalline slitlike nanoscopic pores: Bilayers Salamacha L, Patrykiejew A, Sokolowski S, Binder K
1031 - 1043	A washboard with moment of inertia model of gas-surface scattering Yan TY, Hase WL, Tully JC
1044 - 1054	Hydrolysis of a two-membered silica ring on the amorphous silica surface Du MH, Kolchin A, Cheng HP
1055 - 1058	Structure of carbon onions and nanotubes formed by arc in liquids Alexandrou I, Wang H, Sano N, Amaratunga GAJ
1059 - 1071	Solvent-free simulations of fluid membrane bilayers Brannigan G, Brown FLH
1072 - 1088	Time series analysis of collective motions in proteins Alakent B, Doruker P, Camurdan MC
1089 - 1096	Temperature modeling of laser-irradiated azo-polymer thin films Yager KG, Barrett CJ
1097 - 1104	Phase behavior of binary mixtures of sterically stabilized colloids with large size asymmetry Hennequin Y, Pollard M, van Duijneveldt JS
1105 - 1116	Phase behavior in thin films of cylinder-forming ABA block copolymers: Experiments Knoll A, Magerle R, Krausch G
1117 - 1126	Phase behavior in thin films of cylinder-forming ABA block copolymers: Mesoscale modeling Horvat A, Lyakhova KS, Sevink GJA, Zvelindovsky AV, Magerle R
1127 - 1137	Role of dissimilar interfaces in thin films of cylinder-forming block copolymers Lyakhova KS, Sevink GJA, Zvelindovsky AV, Horvat A, Magerle R
1138 - 1139	An estimate of random close packing density in monodisperse hard spheres Jalali P, Li M
1140 - 1141	Ferromagnetic dimer interactions in Cu2Cl4(CH3CN)(2) Liu C, Talham DR, Park JH, Cizmar E, Meisel MW
1142 - 1142	Structure, bonding, and adhesion at the TiC(100)/Fe(110) interface from first principles (vol 118, pg 8982, 2003) Arya A, Carter EA