Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.7 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

1055 - 1061	Molecular dynamics simulation of Li(+)BF4(-) in ethylene carbonate, propylene carbonate, and dimethyl carbonate solvents Soetens JC, Millot C, Maigret B
1062 - 1067	Ultrafast charge-transfer dynamics : Studies of p-nitroaniline in water and dioxane Thomsen CL, Thogersen J, Keiding SR
1068 - 1082	Short-time dynamics of vibrational relaxation in molecular fluids Ladanyi BM, Stratt RM
1083 - 1089	Reversible photoinitiated isomerization reaction of BrOBr to BrBrO : A combined matrix isolation and ab initio study Kolm J, Schrems O, Beichert P
1090 - 1097	Proton tunneling in the loss of hydrogen bromide from energy-selected gas-phase 2-bromobutane cations Keister JW, Baer T, Thissen R, Alcaraz C, Dutuit O, Audier H, Troude V
1098 - 1105	Photodissociation of ICI molecule oriented by an intense electric field : Experiment and theoretical analysis Bazalgette G, White R, Trenec G, Audouard E, Buchner M, Vigue J
1106 - 1111	Hysteresis in the temperature dependence of phosphorescence of 4-hydroxy-3-methoxybenzaldehyde (vanillin) in ethanol Nishigaki A, Nagashima U, Uchida A, Oonishi I, Ohshima S
1112 - 1118	Characterization of oriented molecule beams by radio frequency spectroscopy Wiediger SD, Harland PW, Holte JR, Brooks PR
1119 - 1123	Cation affinities of [1(6)]starand model. Comparison with 12-crown-4 : Crucial role of dipolar moiety orientations Cui CZ, Cho SJ, Kim KS
1124 - 1129	Reactions of sodium clusters with water clusters Bewig L, Buck U, Rakowsky S, Reymann M, Steinbach C
1130 - 1138	The conformational distributions and interconversions of partially methylated calix[4]arenes van Hoorn WP, Morshuis MGH, van Veggel FCJM, Reinhoudt DN
1139 - 1145	Infrared and Raman spectroscopy of 9,9 ＇-spirobifluorene, bis(2,2 ＇-biphenylene)silane, and bis(2,2 ＇-biphenylene)germane. Vibrational assignment by depolarization measurement and HF and density functional theory studies Boo BH, Park J, Yeo HG, Lee SY, Park CJ, Kim JH
1146 - 1151	Application of SQMFF vibrational calculations to transition states : DFT and ab initio study of the kinetics of methyl azide and ethyl azide thermolysis Arenas JF, Otero JC, Sanchez-Galvez A, Soto J, Viruela P
1152 - 1161	Atmospheric chemistry of CF3CH2OCH2CF3 : UV spectra and kinetic data for CF3CH(center dot)OCH2CF3 and CF3CH(OO center dot)OCH2CF3 radicals and atmospheric fate of CF3CH(O center dot)OCH2CF3 radicals Wallington TJ, Guschin A, Stein TNN, Platz J, Sehested J, Christensen LK, Nielsen OJ
1162 - 1169	Experimental and theoretical studies of double minima in the potential-energy surfaces for HF-elimination reactions of SiFx(OH)(y)(+) with H2O (x = 1-3, y = 0-2) via intramolecular H-atom transfer Ketvirtis AE, Baranov YI, Hopkinson AC, Bohme DK
1170 - 1176	Ab initio studies on the structures and vibrational frequencies of rare earth fluorides LnF(n) (Ln = Er, Tm; n = 1, 2, 3) and their positive ions and an assessment of their ionization and dissociation energies Lesar A, Muri G, Hodoscek M
1177 - 1180	Effect of large-amplitude vibrations on the thermodynamics of malondialdehyde Nino A, Munoz-Caro C
1181 - 1193	H-2 NMR investigations of the hexadecane/urea inclusion compound Schmider J, Muller K
1194 - 1199	Theoretical study on the reaction path and variational rate constant of the reaction HNCO+NH -> NCO+NH2 Xu ZF, Sun JZ
1200 - 1208	United atom force field for molecular dynamics simulations of 1,4-polybutadine based on quantum chemistry calculations on model molecules Smith GD, Paul W
1209 - 1213	G2(MP2) and G2(MP2,SVP) calculations of enthalpies of hydrogenation, isomerization, and formation of C-5 hydrocarbons. 2. Substituted cyclobutenes, vinylcyclopropene, spiropentane, and methyltetrahedrane Rogers DW, McLafferty FJ, Podosenin AV
1214 - 1218	Anomalous change of bond energies in the cluster ion N2H+(H-2)(n) Hiraoka K, Katsuragawa J, Minamitsu A, Ignacio EW, Yamabe S
1219 - 1229	Theoretical study of alternative ring forms of alpha-L-fucopyranose Csonka GI, Elias K, Kolossvary I, Sosa CP, Csizmadia IG
1230 - 1235	Effect of hydrogen bending on the vibrations of p-benzosemiquinone radical anion Zhan CG, Chipman DM