Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (37 articles)

6969 - 6972	The equilibrium theory for Lennard-Jones dimer fluids Lin CT, Stell G
6973 - 6982	An ab initio direct-trajectory study of the kinetic isotope effect on the bifurcating reaction Taketsugu T, Kumeda Y
6983 - 6993	Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals Pedersen TB, Fernandez B, Koch H
6994 - 7000	Smart darting Monte Carlo Andricioaei I, Straub JE, Voter AF
7001 - 7012	Intermolecular bending levels in an open-shell diatom-diatom complex: Infrared spectroscopy and model calculations of the OH-N-2 complex Marshall MD, Pond BV, Hopman SM, Lester MI
7013 - 7017	Semirigid vibrating rotor target calculation for reaction H+HOD -> H-2+OD, HD+OH Li YM, Wang ML, Zhang JZH, Zhang DH
7018 - 7026	The stretching vibrational overtone spectra of PH3: Local mode vibrational analysis, dipole moment surfaces from density functional theory and band intensities He SG, Zheng JJ, Hu SM, Lin H, Ding Y, Wang XH, Zhu QS
7027 - 7035	Dissociation dynamics of I-2(B)-Ar: Rotational population distributions of I-2(B,v) fragments from the T-shaped and linear complexes Burroughs A, Heaven MC
7036 - 7044	Surface solvation of halogen anions in water clusters: An ab initio molecular dynamics study of the Cl-(H2O)(6) complex Tobias DJ, Jungwirth P, Parrinello M
7045 - 7051	Alkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocols Siu FM, Ma NL, Tsang CW
7052 - 7058	Far-wing scattering studies on the reaction Li-*(2p,3p)+H-2 -> LiH(v('')=1,2,J(''))+H Bililign S, Hattaway BC, Robinson TL, Jeung GH
7059 - 7065	Photodissociation spectroscopy of benzene cluster ions in ultraviolet and infrared regions: Static and dynamic behavior of positive charge in cluster ions Inokuchi Y, Nishi N
7066 - 7072	The structure and the thermochemical properties of the H-3(+)(H-2)(n) clusters (n=8-12) Barbatti M, Jalbert G, Nascimento MAC
7073 - 7080	Quantum state distributions of HCl from the ultraviolet photodissociation of HCl dimer Picconatto CA, Ni H, Srivastava A, Valentini JJ
7081 - 7093	Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H2O+-Ne open-shell ionic complex Dopfer O, Roth D, Maier JP
7094 - 7102	Application of artificial neural networks and genetic algorithms to modeling molecular electronic spectra in solution Lilichenko M, Kelley AM
7103 - 7108	Dispersion of the first hyperpolarizability of a strongly charge-transfer chromophore investigated by tunable wavelength hyper-Rayleigh scattering Hsu CC, Liu S, Wang CC, Wang CH
7109 - 7117	Structures and properties of hard sphere mixtures based on a self-consistent integral equation Lee LL, Malijevsky A
7118 - 7123	The alpha-relaxation process in simple glass forming liquid m-toluidine. I. The temperature dependence of the dielectric response Cutroni M, Mandanici A, Spanoudaki A, Pelster R
7124 - 7129	The alpha-relaxation process in simple glass forming liquid m-toluidine. II. The temperature dependence of the mechanical response Cutroni M, Mandanici A
7130 - 7143	Semiclassical molecular dynamics computation of spontaneous light emission in the condensed phase: Resonance Raman spectra Ovchinnikov M, Apkarian VA, Voth GA
7144 - 7156	Magnetic properties of atomic boron in rare gas matrices: An electron paramagnetic resonance study with ab initio and diatomics-in-molecules molecular dynamics analysis Kiljunen T, Eloranta J, Ahokas J, Kunttu H
7157 - 7165	Optical properties of atomic boron in rare gas matrices: An ultraviolet-absorption/laser induced fluorescence study with ab initio and diatomics-in-molecules molecular dynamics analysis Kiljunen T, Eloranta J, Ahokas J, Kunttu H
7166 - 7173	Liquid-solid and solid-solid phase transitions of oxygen in a single cylindrical pore Morishige K, Ogisu Y
7174 - 7181	Effect of pressure, membrane thickness, and placement of control volumes on the flux of methane through thin silicalite membranes: A dual control volume grand canonical molecular dynamics study Martin MG, Thompson AP, Nenoff TM
7182 - 7188	Demixing and the force between parallel plates immersed in binary liquid mixtures Greberg H, Patey GN
7189 - 7195	Molecular simulation of the transition from liquidlike to solidlike behavior in complex fluids confined to nanoscale gaps Cui ST, Cummings PT, Cochran HD
7196 - 7210	Statistical mechanics and molecular simulation of adsorption of ternary gas mixtures in nanoporous materials Xu LF, Tsotsis TT, Sahimi M
7211 - 7221	Self-organized structures in thin liquid films on chemically heterogeneous substrates: Effect of antagonistic short and long range interactions Zope M, Kargupta K, Sharma A
7222 - 7227	Helical polyacetylene heavily doped with iodine: Magnetotransport Suh DS, Kim TJ, Aleshin AN, Park YW, Piao G, Akagi K, Shirakawa H, Qualls JS, Han SY, Brooks JS
7228 - 7238	Photodesorption of disilane physisorbed on hydrogen terminated Si(100) and the dramatic consequences of weak molecular chemisorption Wright S, Hasselbrink E
7239 - 7246	Ferroelectric properties of (C5H5NH)(5)Bi2Br11 Jozkow J, Jakubas R, Bator G, Pietraszko A
7247 - 7259	Static and dynamic scattering from ternary polymer blends: Bicontinuous microemulsions, Lifshitz lines, and amphiphilicity Morkved TL, Stepanek P, Krishnan K, Bates FS, Lodge TP
7260 - 7266	Dynamics of DNA in entangled polymer solutions: An anisotropic friction model Noguchi H, Takasu M
7267 - 7273	Hierarchy of events in the folding of model proteins Broglia RA, Tiana G
7274 - 7282	Computer simulation of a Langmuir trough experiment carried out on a nanoparticulate array Fenwick NID, Bresme F, Quirke N
7283 - 7290	Phase envelopes for variable width square well chain fluids Cui JY, Elliott JR