Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.8 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (23 articles)

1226 - 1231	Formation of CH3CFCl+ from photoionization of CH3CFCl2: An application of threshold photoelectron photoion coincidence (TPEPICO) technique Chiang SY, Lee YC, Lee YP
1232 - 1237	Diffusion of aromatic hydrocarbons in n-alkanes and cyclohexanes Kowert BA, Dang NC, Sobush KT, Seele LG
1238 - 1243	Ultrafast energy equilibration in hydrogen-bonded liquids Lock AJ, Woutersen S, Bakker HJ
1244 - 1253	Gas-phase spectroscopy of the unstable acetonitrile N-oxide molecule, CH3CNO Pasinszki T, Westwood NPC
1254 - 1259	Valence orbital electron momentum spectroscopy for N2O Wang F, Brunger MJ, Larkins FP
1260 - 1266	Collision energy dependence on the microsolvated S(N)2 reaction of F-(H2O) with CH3Cl: A full dimensional ab initio direct dynamics study Tachikawa H
1267 - 1269	A confined electron spherical void model in sonoluminescence Liu ZZ, Yu LY, Luo J
1270 - 1276	Factors affecting the rate of decay of the first excited singlet state of molecular oxygen O-2(a(1)Delta(g)) in supercritical fluid carbon dioxide Worrall DR, Abdel-Shafi AA, Wilkinson F
1277 - 1282	Determination of the equilibrium constant and thermodynamic parameters for the reaction of pentadienyl radicals with O-2 Zils R, Inomata S, Imamura T, Miyoshi A, Washida N
1283 - 1287	Molecular dynamics simulation study of the influence of conformation on the solvation thermodynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous solution Smith GD, Bedrov D
1288 - 1295	Theoretical study of tautomeric forms of uracil. 1. Relative order of stabilities and their relation to proton affinities and deprotonation enthalpies Kryachko ES, Nguyen MT, Zeegers-Huyskens T
1296 - 1301	Theoretical studies of competing reaction pathways and energy barriers for alkaline ester hydrolysis of cocaine Zhan CG, Landry DW
1302 - 1314	Mechanism for unimolecular decomposition of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocine) an ab initio study Chakraborty D, Muller RP, Dasgupta S, Goddard WA
1315 - 1319	Binding energy in and equilibrium constant of formation for the dodecahedrane compounds He@C20H20 and Ne@C20H20 Jimenez-Vazquez HA, Tamariz J, Cross RJ
1320 - 1325	Bonding of alpha-dicarbonyls to nickel: Structural and vibrational analysis Rochefort A, McBreen P
1326 - 1333	Quantum/classical mechanical comparison of cation-pi interactions between tetramethylammonium and benzene Felder C, Jiang HL, Zhu WL, Chen KX, Silman I, Botti SA, Sussman JL
1334 - 1342	Ab initio MCSCF study on eight pi-electron heterocyclic conjugated systems: Energy component analysis of the pseudo-Jahn-Teller distortion from planarity Toyota A, Shiota M, Nagae Y, Koseki S
1343 - 1353	Internal bond rotation in substituted methyl radicals, H2B-CH2, H3C-CH2, H2N--CH2, and HO-CH2: Hardness profiles Uchimaru T, Chandra AK, Kawahara S, Matsumura K, Tsuzuki S, Mikami M
1354 - 1356	State-specific Brillouin-Wigner multireference coupled cluster study of the singlet-triplet separation in the tetramethyleneethane diradical Pittner J, Nachtigall P, Carsky P, Hubac I
1357 - 1365	An ab initio study of hydrogen bonding effects on the N-15 and H-1 chemical shielding tensors in the Watson-Crick base pairs Czerneky J
1366 - 1370	Simple scheme to evaluate crystal nonlinear susceptibilities: Semiempirical AM1 model investigation of 3-methyl-4-nitroaniline crystal Castet F, Champagne B
1371 - 1382	Nitromethyl radical, cation, and anion. A neutralization and electron photodetachment-reionization mass spectrometric and ab initio computational study of [C,H-2,N,O-2] isomers Polasek M, Turecek F
1383 - 1384	A study of silver (I) ion organonitrile complexes: Ion structures, binding energies, and substituent effects (vol 105A, pg 716, 2000) Shoeib T, El Aribi H, Sun KWM, Hopkinson AC