Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (51 articles)

9619 - 9622	Direct observation of the triplet lifetime quenching of single dye molecules by molecular oxygen Hubner CG, Renn A, Renge I, Wild UP
9623 - 9626	Dissociation rates of benzene at VUV excitation Hsu TC, Shu JN, Chen Y, Lin JJ, Lee YT, Yang XM
9627 - 9636	Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation Calvo F, Doye JPK, Wales DJ
9637 - 9643	A single Lanczos propagation method for calculating transition amplitudes. III. S-matrix elements with a complex-symmetric Hamiltonian Li SM, Li GH, Guo H
9644 - 9656	Optimization of hyperplanar transition states Johannesson GH, Jonsson H
9657 - 9666	Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table Henkelman G, Jonsson H
9667 - 9674	Inclusion of mean-field spin-orbit effects based on all-electron two-component spinors: Pilot calculations on atomic and molecular properties Ilias M, Kello V, Visscher L, Schimmelpfennig B
9675 - 9684	An improved reactive flux method for evaluation of rate constants in dissipative systems Drozdov AN, Tucker SC
9685 - 9697	Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner Larsen H, Olsen J, Jorgensen P, Helgaker T
9698 - 9707	Atomic orbital Laplace-transformed second-order Moller-Plesset theory for periodic systems Ayala PY, Kudin KN, Scuseria GE
9708 - 9719	A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations Zicovich-Wilson CM, Dovesi R, Saunders VR
9720 - 9726	Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules Visscher L, Eliav E, Kaldor U
9727 - 9732	Photodissociation study of CS2 at 193 nm using slice imaging Kitsopoulos TN, Gebhardt CR, Rakitzis TP
9733 - 9738	Electronic states of the phenoxyl radical Radziszewski JG, Gil M, Gorski A, Spanget-Larsen J, Waluk J, Mroz BJ
9739 - 9746	Photodissociation of Br-2 at 234 and 265 nm: Imaging studies of one and two photon excitation Jee YJ, Jung YJ, Jung KH
9747 - 9763	Activation of methane by size-selected iron cluster cations, Fe-n(+) (n=2-15): Cluster-CHx (x=0-3) bond energies and reaction mechanisms Liyanage R, Zhang XG, Armentrout PB
9764 - 9770	Rotationally resolved photoionization: Influence of the 4 sigma -> k sigma shape resonance on CO+(B (2)Sigma(+)) rotational distributions Farquar GR, Miller JS, Poliakoff ED, Wang KS, McKoy V
9771 - 9780	Rotational pathways in electronic energy transfer McCaffery AJ, Marsh RJ
9781 - 9796	Six-dimensional variational calculation of the bending energy levels of HF trimer and DF trimer Wang XG, Carrington T
9797 - 9807	Quantum effect of solvent on molecular vibrational energy relaxation of solute based upon path integral influence functional theory Mikami T, Shiga M, Okazaki S
9808 - 9814	Low-energy excitations of vapor-deposited amorphous ice and its annealing and methanol-doping effects studied by inelastic neutron scattering Yamamuro O, Madokoro Y, Yamasaki H, Matsuo T, Tsukushi I, Takeda K
9815 - 9820	Ab initio molecular dynamics simulation of liquid water and water-vapor interface Vassilev P, Hartnig C, Koper MTM, Frechard F, van Santen RA
9821 - 9826	Magnetic and optical anisotropy of Clostridium pasteurianum rubredoxin from optically detected electron paramagnetic resonance Borger B, Suter D
9827 - 9834	Ultrafast laser control of ionic-bond formation: ClF in argon solids Bargheer M, Pietzner J, Dietrich P, Schwentner N
9835 - 9842	Protonic and Bjerrum defect activity near the surface of ice at T < 145 K Uras-Aytemiz N, Joyce C, Devlin JP
9843 - 9847	Isotope exchange of D2O on H2O ice: Surface versus bulk reactivity Everest MA, Pursell CJ
9848 - 9861	Reference system master equation approaches to condensed phase charge transfer processes. I. General formulation Golosov AA, Reichman DR
9862 - 9870	Reference system master equation approaches to condensed phase charge transfer processes. II. Numerical tests and applications to the study of photoinduced charge transfer reactions Golosov AA, Reichman DR
9871 - 9882	Electrical conductivity of highly concentrated electrolytes near the critical consolute point: A study of tetra-n-butylammonium picrate in alcohols of moderate dielectric constant Oleinikova A, Bonetti M
9883 - 9894	Comparison of polarizable and nonpolarizable models of hydrogen fluoride in liquid and supercritical states: A Monte Carlo simulation study Jedlovszky P, Mezei M, Vallauri R
9895 - 9904	Inertial effects in the nonlinear transient relaxation of Brownian particles in strong external electric fields Coffey WT, Kalmykov YP, Titov SV
9905 - 9911	Energy bottlenecks and the rotational dynamics of a water-like fluid Evans GT
9912 - 9922	Noise spectroscopy of randomly modulated atoms Vemuri G
9923 - 9928	Cavitation in two-dimensional metallo-supramolecular coordination polyelectrolyte amphiphile complexes Khattari Z, Hatta E, Kurth DG, Fischer TM
9929 - 9934	Application of the z-transform to composite materials Gao YQ, Marcus RA
9935 - 9946	Orientation of liquid crystal monolayers on polyimide alignment layers: A molecular dynamics simulation study van der Vegt NFA, Muller-Plathe F, Gelessus A, Johannsmann D
9947 - 9959	Hydrogen-exchange reactions via hot hydrogen atoms produced in the dissociation process of molecular hydrogen on Ir{111} Moritani K, Okada M, Nakamura M, Kasai T, Murata Y
9960 - 9969	Nano-dewetting: Interplay between van der Waals- and short-ranged interactions Muller M, MacDowell LG, Muller-Buschbaum P, Wunnike O, Stamm M
9970 - 9974	Influence of nucleation nature on Ca mineral/substrate structural synergy and implications for biomineralization in microgravity Liu XY
9975 - 9981	Phases of neon, xenon, and methane adsorbed on nanotube bundles Calbi MM, Gatica SM, Bojan MJ, Cole MW
9982 - 9990	Extraordinary elevation of the glass transition temperature of thin polymer films grafted to silicon oxide substrates Tate RS, Fryer DS, Pasqualini S, Montague MF, de Pablo JJ, Nealey PF
9991 - 9994	Photocontrol of protein conformation in a Langmuir monolayer Cicuta P, Hopkinson I, Petrov PG
9995 - 10000	Poly(alpha-methylstyrene) in methylcyclohexane: Densities and viscosities near the liquid-liquid critical point Pendyala KS, Greer SC, Jacobs DT
10001 - 10006	The reorganization of the lamellar structure of a single polyethylene chain during heating: Molecular dynamics simulation Zhang XB, Li ZS, Lu ZY, Sun CC
10007 - 10013	Triplet-triplet annihilation in a poly(fluorene)-derivative Hertel D, Bassler H, Guentner R, Scherf U
10014 - 10021	Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory Grozema FC, Telesca R, Jonkman HT, Siebbeles LDA, Snijders JG
10022 - 10028	Anisotropic diffusion of tagged spheres near the isotropic-nematic phase transition Vasanthi R, Ravichandran S, Bagchi B
10029 - 10035	Effect of temperature, pressure and volume on long time relaxation dynamics in fragile glass-forming liquid Paluch M
10036 - 10044	Effects of temperature and pressure on phase transitions in a ternary microemulsion system Nagao M, Seto H, Takeda T, Kawabata Y
10045 - 10047	On the microscopic interaction of para-chlorofluorobenzene with water Riehn C, Reimann B, Buchhold K, Vaupel S, Barth HD, Brutschy B, Tarakashwar P, Kim KS
10048 - 10049	Conjecture of the lifetime of delocalized electrons in liquid helium Schmidt WF, Illenberger E, Khrapak AG, Sakai Y