Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.24 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (38 articles)

11017 - 11020	Rotational-state selective nuclear magnetic resonance spectra of hydrogen in a molecular trap Tomaselli M, Meier BH
11021 - 11024	A local interpolation method for direct classical dynamics calculations Christoffel KM, Bowman JM, Braams BJ
11025 - 11035	Single-simulation determination of phase boundaries: A dynamic Clausius-Clapeyron integration method de Koning M, Antonelli A, Yip S
11036 - 11039	Significant improvement of the trajectory surface hopping method by the Zhu-Nakamura theory Zhu CY, Kamisaka H, Nakamura H
11040 - 11051	Prediction of transition state barriers and enthalpies of reaction by a new hybrid density-functional approximation Kang JK, Musgrave CB
11052 - 11067	Application and development of multiconfigurational localized perturbation theory Dunietz BD, Friesner RA
11068 - 11079	A posteriori corrections to systematic failures of standard density functionals: The dissociation of two-center three-electron systems Chermette H, Ciofini I, Mariotti F, Daul C
11080 - 11096	Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree-Fock and Kohn-Sham theory Neese F
11097 - 11105	Computing memory functions from molecular dynamics simulations Kneller GR, Hinsen K
11106 - 11117	The Sc+NO -> ScO+N reaction: Rotational state distribution in ScOX (2)Sigma(+)(v(''')0) Luc P, Vetter R
11118 - 11130	Electronic spectroscopy of jet-cooled CFCl: Laser-induced fluorescence, dispersed fluorescence, lifetimes, and C-Cl dissociation barrier Guss JS, Votava O, Kable SH
11131 - 11138	The pure rotational spectra of SrSH ((X)over-tilde (2)A') and SrS (X (1)Sigma(+)): Further studies in alkaline-earth bonding Halfen DT, Apponi AJ, Thompsen JM, Ziurys LM
11139 - 11146	Internal rotation in high-resolution ultraviolet spectra. I. Semirigid model of a C-2v top-C-s frame internal motion Schafer M
11147 - 11156	Internal rotation in high-resolution ultraviolet spectra. II. Spectrum and structure of the aniline-nitrogen van der Waals complex Schafer M, Pratt DW
11157 - 11165	Nanosecond and femtosecond probing of the dynamics of the UV-photodissociation of perfluoroethyliodide C2F5I Baklanov AV, Bogdanchikov GA, Aldener M, Sassenberg U, Persson A
11166 - 11184	Variation with the intermolecular distance of properties dependent on the electron density in hydrogen bond dimers Galvez O, Gomez PC, Pacios LF
11185 - 11192	Electronic relaxation dynamics of carbon cluster anions: Excitation of the (C)over-tilde(2)Pi(g)<-(X)over-tilde(2)Pi(u) transition in C-6(-) Frischkorn C, Bragg AE, Davis AV, Wester R, Neumark DM
11193 - 11199	Is 9-acridinamine anion a dispersion-bound anion? Skurski P, Rak J, Simons J
11200 - 11212	Energy levels of HCN+ and DCN+ in the vibronically coupled X-2 Pi and A(2)Sigma(+) states Tarroni R, Mitrushenkov A, Palmieri P, Carter S
11213 - 11220	Ab initio study of the ground and two low-lying electronic excited states of FeC Itono SS, Taketsugu T, Hirano T, Nagashima U
11221 - 11227	Crystallization and glass formation processes in methylcyclohexane: Vibrational dynamics as a possible molecular indicator of the liquid-glass transition Abramczyk H, Paradowska-Moszkowska K
11228 - 11238	The production and decay kinetics of ClOO in water and freon-11: A time-resolved resonance raman study Hayes SC, Thomsen CL, Reid PJ
11239 - 11242	Specific features of geminate radical pair recombination in high magnetic field Shushin AI
11243 - 11248	Proton dynamics in supercritical water Andreani C, Colognesi D, Degiorgi E, Ricci MA
11249 - 11253	Electric field effects on fluorescence quenching due to electron transfer Hilczer M, Traytak S, Tachiya M
11254 - 11260	Approach to band gap alignment in confined semiconductors Goldbach A, Saboungi ML, Iton LE, Price DL
11261 - 11267	Adsorption of Cu and Pd on alpha-Al2O3(0001) surfaces with different stoichiometries Lodziana Z, Norskov JK
11268 - 11277	Theory and simulations of squeeze-out dynamics in boundary lubrication Zilberman S, Persson BNJ, Nitzan A
11278 - 11288	Validation of mesoscopic theory and its application to computing concentration dependent diffusivities Lam R, Basak T, Vlachos DG, Katsoulakis MA
11289 - 11298	Adsorption of a fluid in an aerogel: Integral equation approach Krakoviack V, Kierlik E, Rosinberg ML, Tarjus G
11299 - 11305	A neutron spin-echo study of confined water Swenson J, Bergman R, Longeville S
11306 - 11316	Facile H-D exchange in adsorbed methylidyne on Pt{110}-(1x2) and deuteration to gaseous methane Watson DTP, Ge Q, King DA
11317 - 11324	Density functional calculations on the structure of crystalline polyethylene under high pressures Miao MS, Zhang ML, Van Doren VE, Van Alsenoy C, Martins JL
11325 - 11332	Zimm model for a copolymer chain under an alternating field in theta solvents Wenczel R, Shew CY
11333 - 11338	Characterization of gels by Monte Carlo method using a model of radical polymerization with cross linkers Nosaka M, Takasu M, Katoh K
11339 - 11351	Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts. I. Single temperature end-bridging Monte Carlo simulations Doxastakis M, Mavrantzas VG, Theodorou DN
11352 - 11361	Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations Doxastakis M, Mavrantzas VG, Theodorou DN
11362 - 11370	Mean-field Gaussian chain theory for semidilute theta chains in a slit Teraoka I, Cifra P