Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.12 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (43 articles)

5287 - 5290	Detection of "ended'' NO recoil in the 355 nm NO2 photodissociation mechanism Nestorov VK, Cline JI
5291 - 5294	Specific heat of endohedral and higher fullerene thin films Allen K, Hellman F
5295 - 5302	A direct procedure for the evaluation of solvent effects in MC-SCF calculations Cossi M, Barone V, Robb MA
5303 - 5305	Feynman path centroid dynamics for Fermi-Dirac statistics Roy PN, Jang SJ, Voth GA
5306 - 5323	Long-range effects in optimizing the geometry of stereoregular polymers. I. Formalism Jacquemin D, Andre JM, Champagne B
5324 - 5330	Long-range effects in optimizing the geometry of stereoregular polymers. II. Hydrogen fluoride chains as a working example Jacquemin D, Andre JM, Champagne B
5331 - 5337	Calculated and experimental rotational constants of (D2O)(3): Effects of intermolecular torsional and symmetric stretching excitations Sabo D, Bacic Z, Graf S, Leutwyler S
5338 - 5343	Ultrafast predissociation and coherent phenomena in CS2 excited by femtosecond laser pulses at 194-207 nm Farmanara P, Stert V, Radloff W
5344 - 5348	Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6 Natalense APP, Lucchese RR
5349 - 5360	Photoelectron spectroscopy of the CH3N- ion Travers MJ, Cowles DC, Clifford EP, Ellison GB, Engelking PC
5361 - 5367	Theoretical characterization of the ground- and excited-state structures and properties of indole-(H2O)(n) (n=1,2) complexes Fang WH
5368 - 5383	A unified quantal and classical description of the stereodynamics of elementary chemical reactions: State-resolved k-k(')-j(') vector correlation for the H+D-2(v=0, j=0) reaction de Miranda MP, Aoiz FJ, Banares L, Rabanos VS
5384 - 5389	Single-bubble sonoluminescence from hydrogen Yasui K
5390 - 5401	Molecular dynamics study of vibrational energy relaxation of CN- in H2O and D2O solutions: An application of path integral influence functional theory to multiphonon processes Shiga M, Okazaki S
5402 - 5407	Wave packet motion during thermalization of the relaxed excited state in the one-dimensional platinum dimethylglyoxime complex Iwai S, Kamata T, Murata S, Yamamoto K, Ohta T
5408 - 5417	The effect of a strong external field on the electronic dephasing of a solute that is strongly coupled to a solvent Cukier RI, Denk C, Morillo M
5418 - 5426	Electron transfer in a slow relaxation bath: Fast and slow degrees of freedom: Application to primary electron transfer in photosynthetic bacteria Dakhnovskii Y
5427 - 5433	Singlet and triplet energies of alpha-oligothiophenes: A spectroscopic, theoretical, and photoacoustic study: Extrapolation to polythiophene de Melo JS, Silva LM, Arnaut LG, Becker RS
5434 - 5440	A new and more direct test of Hubbard relations from molecular mass distribution influence on linear liquid dynamics Calero S, Lago S, Garzon B
5441 - 5454	Relaxation dynamics and their spatial distribution in a two-dimensional glass-forming mixture Perera DN, Harrowell P
5455 - 5460	On the virial series for hard-sphere mixtures Wheatley RJ
5461 - 5473	Dynamics of fragment recoil in the femtosecond photodissociation of triiodide ions in liquid solution Hess S, Bursing H, Vohringer P
5474 - 5484	Effect of solvent density and species on static and dynamic fluorescence Stokes shifts of coumarin 153 Kimura Y, Hirota N
5485 - 5490	Gas-liquid nucleation in partially miscible systems: Free-energy surfaces and structures of nuclei from density functional calculations Napari I, Laaksonen A
5491 - 5502	Theoretical and experimental studies of chemically induced dynamic nuclear polarization kinetics in recombination of radical pairs by the method of switched external magnetic field. II. C-13 CIDNP of micellized radical pairs Fedin MV, Bagryanskaya EG, Purtov PA
5503 - 5513	Instantaneous normal mode theory of diffusion and the potential energy landscape: Application to supercooled liquid CS2 Li WX, Keyes T
5514 - 5521	A Monte Carlo simulation and symmetric Poisson-Boltzmann study of a four-component electrolyte mixture Rescic J, Vlachy V, Outhwaite CW, Bhuiyan LB, Mukherjee AK
5522 - 5528	Core to surface exchange and the melting of Ar-12-HF (eta=0): A j-walking-molecular-dynamics simulation Ghayal MR, Curotto E
5529 - 5543	Molecular dynamics simulation of an activated transfer reaction in zeolites Demontis P, Suffritti GB, Tilocca A
5544 - 5554	van der Waals theory for the spatial distribution of the tension in an interface. I. Density functional theory Lovett R, Baus M
5555 - 5561	van der Waals theory for the spatial distribution of the tension in an interface. II. Numerical results Baus M, Lovett R
5562 - 5567	Thickness-dependent melting transition in Langmuir-Blodgett films Fontana MP, Facci P
5568 - 5579	The alanine dipeptide free energy surface in solution Smith PE
5580 - 5592	Crossover behavior in dilute polymer solutions: Square-well chains Lue L, Kiselev SB
5593 - 5598	The application of the energy landscape model to polymers Roland CM, Santangelo PG, Ngai KL
5599 - 5602	Modeling chain stiffness, fusion and specific interaction using hard nonadditive size interactions Hamad EZ
5603 - 5610	Localization of random copolymers at an interface: Numerical simulations Chen ZY
5611 - 5616	Geminate charge pair recombination in sensitized photoconducting polymer Abramavicius D, Gulbinas V, Ruseckas A, Undzenas A, Valkunas L
5617 - 5619	Quantum mechanical study of intramolecular vibrational energy redistribution in the third CH stretch overtone state in benzene Rashev S
5620 - 5621	Comment on "A new algorithm for reverse Monte Carlo simulations" [J. Chem. Phys. 109, 2624 (1998)] Toth G, Pusztai L, Baranyai A
5622 - 5623	Response to "Comment on 'A new algorithm for reverse Monte Carlo simulations' " [J. Chem. Phys. 111, 5620 (1999)] da Silva FLB, Svensson B, Akesson T, Jonsson B
5624 - 5624	A class IV charge model for molecular excited states (vol 110, pg 724, 1999) Li JB, Williams B, Cramer CJ, Truhlar DG
5624 - 5624	Density functional solvation model based on CM2 atomic charges (vol 109, pg 9117, 1998) Zhu TH, Li J, Hawkins GD, Cramer CJ, Truhlar DG