Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.17 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

3005 - 3008	Prediction of rate constants for reactions of the hydroxyl radical in water at high temperatures and pressures Ghandi K, Percival PW
3009 - 3016	Solvent induced symmetry breaking and relaxation following charge transfer to solvent excitation of Na- in tetrahydrofuran Wang ZH, Shoshana O, Hou BX, Ruhman S
3017 - 3023	Nonlinear photophysics and ablation of liquid naphthalene derivatives: Fluence-dependence of luminescence spectra upon 248 nm laser excitation Tsuboi Y, Irie K, Miyasaka H, Itaya A
3024 - 3029	Gas-phase dynamic NMR study of the internal rotation in N-trifluoroacetylpyrrolidine Suarez C, Nicholas EJ, Bowman MR
3030 - 3035	Ultrafast relaxation dynamics from the S-2 state of malachite green studied with femtosecond upconversion spectroscopy Bhasikuttan AC, Sapre AV, Okada T
3036 - 3039	Permanent electric dipole of gas-phase p-amino benzoic acid Compagnon I, Antoine R, Rayane D, Broyer M, Dugourd P
3040 - 3047	Kinetics of the C3H7O2+NO reaction: Temperature dependence of the overall rate constant and the i-C3H7ONO2 branching channel Chow JM, Miller AM, Elrod MJ
3048 - 3053	Kinetic study of the reactions of gas phase Pd(a(1)S(0)), Ag(5s S-2(1/2)), Au(6s S-2(1/2)), Cd(5s(2) S-1(0)), and Hg(6s(2) S-1(0)) atoms with nitrous oxide Campbell ML
3054 - 3063	Absolute rates of the solution-phase addition of atomic hydrogen to a vinyl ether and a vinyl ester: Effect of oxygen substitution on hydrogen atom reactivity with olefins Tanner DD, Kandanarachchi P, Das NC, Franz JA
3064 - 3068	Electron-diffraction and theoretical investigation of the molecular structure of octafluorobicyclo[2.2.0]hex-1(4)-ene in the gas phase: Another example of a molecule with an unusually long C(sp(3))-C(sp(3)) single bond Richardson AD, Hedberg K, Junk CP, Lemal DM
3069 - 3075	Theoretical investigation on the mechanism and thermal rate constants for the reaction of atomic O (P-3) with CHF2Cl Zhang QZ, Gu YS, Wang SK
3076 - 3080	Calculation of gas-liquid critical curves for carbon dioxide-1-alkanol binary systems Tian YL, Chen L, Li MW, Fu HF
3081 - 3085	The spin-pair compositions as local indicators of the nature of the bonding Silvi B
3086 - 3092	Acetic acid dimer in the gas phase, nonpolar solvent, microhydrated environment, and dilute and concentrated acetic acid: Ab initio quantum chemical and molecular dynamics simulations Chocholousova J, Vacek J, Hobza P
3093 - 3106	Singlet and triplet valence excited states of pyrimidine Fischer G, Cai ZL, Reimers JR, Wormell P
3107 - 3120	Theoretical study on the molecular mechanism for the reaction of VO2+ with C2H4 Gracia L, Sambrano JR, Safont VS, Calatayud M, Beltran A, Andres J
3121 - 3125	Two-bond F-19-N-15 spin-spin coupling constants ((2h)J(F-N)) across F-H center dot center dot center dot N hydrogen bonds Del Bene JE, Perera SA, Bartlett RJ, Yanez M, Mo O, Elguero J, Alkorta I
3126 - 3131	Two-bond N-15-F-19 spin-spin coupling constants ((2h)J(N-F)) across N-H+center dot center dot center dot F hydrogen bonds Del Bene JE, Perera SA, Bartlett RJ, Yanez M, Mo O, Elguero J, Alkorta I
3132 - 3138	Structure and dynamics of hydrated Ag (I): Ab initio quantum mechanical-molecular mechanical molecular dynamics simulation Armunanto R, Schwenk CF, Rode BM
3139 - 3145	Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes using internal rotations Vansteenkiste P, Van Speybroeck V, Marin GB, Waroquier M