Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.26 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

4969 - 4972	Hydrate layers on ice particles and superheated ice: a H-1 NMR microimaging study Mondrakovski IL, Ratcliffe CI, McLaurin GE, Simard B, Ripmeester JA
4973 - 4980	Study of multiple relaxations in crown ethers by dielectric relaxation spectroscopy Andjelic S
4981 - 4985	Deuterium NMR study of unstable phenomena and water molecular dynamics in samarium nitrate hexahydrate crystal Mizuno M, Hamada Y, Kitahara T, Suhara M
4986 - 4992	Chloroform anion fragmentation in liquid methylcyclohexane: t(-0.6) simulation of the geminate ion kinetics Buhler RE, Domazou AS, Katsumura Y
4993 - 5002	Interaction of ground and excited (S-1) states of C-60 and C-70 with aromatic amines: Exciplex and charge-transfer emissions Rath MC, Pal H, Mukherjee T
5003 - 5010	Spectroscopic and computational studies of perfluorophenyl and perfluoro-2-naphthyl nitrenes in Shpolskii matrixes Kozankiewicz B, Deperasinska I, Zhai HB, Zhu Z, Hadad CM
5011 - 5014	Rate constants for reactions of O(D-1) with partially flnorinated ethers, E143A (CH3OCF3), E134 (CHF2OCHF2), and E125 (CHF2OCF3) Good DA, Francisco JS
5015 - 5022	Mechanism and kinetics of the reaction of acetylene and nitric oxide Nguyen HMT, Sumathi R, Nguyen MT
5023 - 5031	Rate constants for the reactions of NH2 and HNO with atomic oxygen at temperatures between 242 and 473 K Inomata S, Washida N
5032 - 5039	Kinetic and product study of the atmospheric photooxidation of 1,4-dioxane and its main reaction product ethylene glycol diformate Maurer T, Hass H, Barnes I, Becker KH
5040 - 5048	Rate coefficient measurements for the reaction OH+ClO -> products Kegley-Owen CS, Gilles MK, Burkholder JB, Ravishankara AR
5049 - 5054	A hidden hydrogen transfer in the unimolecular reaction of 1,2-dimethoxyethane(center dot+) Thissen R, Alcaraz C, Dutuit O, Mourgues P, Chamot-Rooke J, Audier HE
5055 - 5060	Mechanism of reaction of the hydrated electron with ozone, perbromate, and other strongly oxidizing inorganic oxocompounds Klaning UK, Byberg JR, Sehested K
5061 - 5074	Variational transition-state theory with optimized orientation of the dividing surface and semiclassical tunneling calculations for deuterium and muonium kinetic isotope effects in the free radical association reaction H+C2H4 -> C2H5 Villa J, Corchado JC, Gonzalez-Lafont A, Lluch JM, Truhlar DG
5075 - 5079	Ab initio studies of the reaction of O(P-3) with CHClF radical Wang BS, Hou H, Gu YS
5080 - 5090	Lifetime of a hydrogen bond in aqueous solutions of carbohydrates Astley T, Birch GG, Drew MGB, Rodger PM
5091 - 5098	On the importance of 5d orbitals for covalent bonding in ytterbium clusters Wang YX, Schautz F, Flad HJ, Dolg M
5099 - 5104	Simulation of electronic circular dichroism with rigid Kohn-Sham orbitals: A computational experiment Bour P
5105 - 5112	Hybrid quantum classical molecular dynamics simulation of the proton-transfer reaction of HO- with HBr in aqueous clusters Elola MD, Estrin DA, Laria D
5113 - 5115	Conduction band of the photographic compound AgCl de Boer PK, de Groot RA
5116 - 5122	Construction of a potential energy surface for molecular dynamics studies of methane adsorbed in zeolites Ermoshin VA, Engel V
5123 - 5128	Generation and identification of ionic and neutral dithioformic acid [HC(S)SH](center dot+/o,) dimercaptocarbene [HSCSH](center dot+/o), and dithiirane [H2C(S-2)](center dot+/o): a neutralization-reionization mass spectrometry and theoretical study Vivekananda S, Srinivas R, Manoharan M, Jemmis ED
5129 - 5136	Multi-coefficient correlation method for quantum chemistry Fast PL, Corchado JC, Sanchez ML, Truhlar DG
5137 - 5151	Structural, rotational, vibrational, and electronic properties of ionized carbon clusters C-n(+) (n=4-19) Giuffreda MG, Deleuze MS, Francois JP
5152 - 5160	Theoretical study of HmGaPNn. Characteristics of gallium-phosphorus multiple bonds Dudley TJ, Brown WW, Hoffmann MR
5161 - 5170	Generation of two isomers of C5H from the corresponding anions. A theoretically motivated mass spectrometric study Blanksby SJ, Dua S, Bowie JH
5171 - 5188	Fully quantum mechanical description of proteins in solution. Combining linear scaling quantum mechanical methodologies with the Poisson-Boltzmann equation Gogonea V, Merz KM
5189 - 5195	Photoinduced isomerization of trans-acetylene radical anion to vinylidene radical anion in 2-methyltetrahydrofuran Itagaki Y, Shiotani M
5196 - 5210	Graphitic edges and unpaired pi-electron spins Klein DJ, Bytautas L
5211 - 5216	Photoprocesses in spirooxazines and their merocyanines Chibisov AK, Gorner H
5217 - 5220	Generation of F2C = C = O and F2C = C = O center dot+ from ionized CF2 = CFOCF3. First experimental observation of gas-phase neutral perfluoroketene Dawson DF, Holmes JL