Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

2119 - 2125	The internal energy of neutral ethylene glycol molecules created in the laser vaporization of aerosol particles Woods E, Miller RE, Baer T
2126 - 2136	Theoretical study of ultrafast photoinduced electron transfer processes in mixed-valence systems Wang HB, Thoss M
2137 - 2147	Spin-orbit coupling effect and intramolecular orbital interactions: Penning ionization of CH2BrCl, CHBrCl2, and CH2BrCN by collision with He*(2(3)S) metastable atoms Tian SX, Kishimoto N, Ohno K
2148 - 2159	Low-energy structures of (C6H6)(13) as determined by low-temperature Monte Carlo simulations using several potential energy surfaces Easter DC
2160 - 2171	Empirical determination of the harmonic force constants in benzene. 2. The C-H stretch system Rashev S
2172 - 2178	Electronic and vibrational properties of porphycene anions Gulam RM, Matsushita T, Teraoka J
2179 - 2184	Rates and products of the dissociative recombination of C3H7+ in low-energy electron collisions Ehlerding A, Arnold ST, Viggiano AA, Kalhori S, Semaniak J, Derkatch AM, Rosen S, af Ugglas M, Larsson M
2185 - 2191	Kinetics of the OH plus methyl vinyl ketone and OH plus methacrolein reactions at low pressure Chuong B, Stevens PS
2192 - 2198	Mechanism of photosensitized generation of singlet oxygen during oxygen quenching of triplet states and the general dependence of the rate constants and efficiencies of O-2((1)Sigma(+)(g)), O-2((1)Delta(g)), and O-2((3)Sigma(-)(g)) formation on sensitizer triplet state energy and oxidation potential Schweitzer C, Mehrdad Z, Noll A, Grabner EW, Schmidt R
2199 - 2208	The NH3 mass accommodation coefficient for uptake onto sulfuric acid solutions Hanson D, Kosciuch E
2209 - 2215	Reactions of Cu+(S-1,D-3) and Au+(S-1,D-3) with CH3Br Taylor WS, May JC, Lasater AS
2216 - 2238	Similarity of sensitivity functions of reaction kinetic models Zsely IG, Zador J, Turanyi T
2239 - 2246	An investigation of the reactivity of OH with fluoroethanes: CH3CH2F (HFC-161), CH2FCH2F (HFC-152), and CH3CHF2 (HFC-152a) Kozlov SN, Orkin VL, Kurylo MJ
2247 - 2255	Products of the gas-phase reaction of O-3 with cyclohexene Aschmann SM, Tuazon EC, Arey J, Atkinson R
2256 - 2263	Spectroscopic and kinetic investigation of methylene amidogen by cavity ring-down spectroscopy Nizamov B, Dagdigian PJ
2264 - 2269	Enhanced uptake of PAHs by organic-coated aqueous surfaces Mmereki BT, Chaudhuri SR, Donaldson DJ
2270 - 2276	A dipole interaction model for the molecular second hyperpolarizability Jensen L, Sylvester-Hvid KO, Mikkelsen KV, Astrand PO
2277 - 2288	Use of ab initio calculations toward the rational design of room temperature ionic liquids Turner EA, Pye CC, Singer RD
2289 - 2295	The structure of dilute clusters of methane and water by ab initio quantum mechanical calculations Ruckenstein E, Shulgin IL, Tilson JL
2296 - 2303	Differentiation of cation-pi bonding from cation-pi intermolecular interactions: A quantum chemistry study using density-functional theory and Morokuma decomposition methods Zhu WL, Tan XJ, Shen JH, Luo XM, Cheng F, Mok PC, Ji RY, Chen KX, Jiang HL
2304 - 2315	Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization Lopez X, Mujika JI, Blackburn GM, Karplus M
2316 - 2323	Theoretical study on the mechanism of the reaction of CH4+MgO Hu CW, Yang HQ, Wong NB, Chen YQ, Gong MC, Tian AM, Li C, Li WK
2324 - 2328	QM/MM molecular dynamics simulation of the structure of hydrated Fe(II) and Fe(III) ions Remsungnen T, Rode BM
2329 - 2333	Matrix isolation Fourier transform infrared spectroscopic and density functional theoretical studies of the reactions of chromium atoms and acetylene Huang ZG, Zeng AH, Dong J, Zhou MF
2334 - 2342	Group additivity methods in terms of response reactions Fishtik I, Datta R, Liebman JF
2343 - 2350	Coupled cluster CCSD(T) calculations of equilibrium geometries, anharmonic force fields, and thermodynamic properties of the formyl (HCO) and isoformyl (COH) radical species Marenich AV, Boggs JE
2351 - 2355	Theoretical study of metal-ligand bonds in Pb(II) porphyrins Yamaki T, Nobusada K
2356 - 2361	Negative ion formation in sodium chloride trimer - An ab initio study Anusiewicz I, Skurski P
2362 - 2368	Trends in the torsional potentials of methoxy and trifluoromethoxy groups: An ab initio and density functional study on the structure of para-substituted pyridines and pyridinium cations Klocker J, Karpfen A, Wolschann P
2369 - 2373	Dynamics of salol at elevated pressure Casalini R, Paluch M, Roland CM
2374 - 2387	Quantification and optimization of dynamic kinetic resolution Andraos J