Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

2769 - 2780	Site specific solvation statics and dynamics of coumarin dyes in hexane-methanol mixture Molotsky T, Huppert D
2781 - 2786	Close-coupling time-dependent quantum dynamics study of the H+HCl reaction Yao L, Han KL, Song HS, Zhang DH
2787 - 2799	Local ionization in 2-phenylethyl-NN-dimethylamine: Charge transfer and dissociation directly after ionization Weinkauf R, Lehr L, Metsala A
2800 - 2807	Optical rotatory and circular dichroic scattering Kaminsky W, Geday MA, Herreros-Cedres J, Kahr B
2808 - 2814	Partially bound systems as sensitive probes of microsolvation: A microwave and ab initio study of HCN center dot center dot center dot HCN-BF3 Fiacco DL, Leopold KR
2815 - 2820	Photoinduced electron transfer from nitoxide free radicals to the triplet state of C-60 Araki Y, Luo HX, Islam SDM, Ito O, Matsushita MM, Iyoda T
2821 - 2828	Electronic and structural evolution of monoiron sulfur clusters, FeSn- and FeSn (n=1-6), from anion photoelectron spectroscopy Zhai HJ, Kiran B, Wang LS
2829 - 2838	Collision-induced dissociation and theoretical studies of Ag+(methanol)(n), n=1-4 Koizumi H, Larsen M, Armentrout PB, Feller D
2839 - 2847	Multiple scattering calculations of bonding and X-ray absorption spectroscopy of manganese oxides Gilbert B, Frazer BH, Belz A, Conrad PG, Nealson KH, Haskel D, Lang JC, Srajer G, De Stasio G
2848 - 2854	Enthalpies of formation of dibenzo-p-dioxin and polychlorinated dibenzo-p-dioxins calculated by density functional theory Dorofeeva OV, Yungman VS
2855 - 2859	Oxidative degradation of small cationic vanadium clusters by molecular oxygen: On the way from V-n(+) (n=2-5) to VOm+ (m=1, 2) Engeser M, Weiske T, Schroder D, Schwarz H
2860 - 2864	sigma and pi relaxation of strain in three-membered ring molecules (CH2)(2)X, (NH)(2)X, and (SiH2)(2)X (X = SiH2, PH, S) Naruse Y, Ma J, Inagaki S
2865 - 2874	Reaction mechanism of N-2/H-2 conversion to NH3: A theoretical study Hwang DY, Mebel AM
2875 - 2881	Theoretical study of reactivities in electrophilic aromatic substitution reactions: Reactive hybrid orbital analysis Hirao H, Ohwada T
2882 - 2889	Aromaticity of square planar N-4(2-) in the M2N4 (M = Li, Na, K, Rb, or Cs) species Li QS, Cheng LP
2890 - 2897	Atoms in molecules computational study on the molecular structure of (Cu2S)n clusters Ni B, Kramer JR, Werstiuk NH
2898 - 2907	Combined quantum chemistry and photoelectron spectroscopy study of the electronic structure and reduction potentials of rubredoxin redox site analogues Niu SQ, Wang XB, Nichols JA, Wang LS, Ichiye T
2908 - 2918	A computational study of conformations and conformers of 1,3-dithiane (1,3-dithiacyclohexane) Freeman F, Le KT
2919 - 2928	Thermal fragmentation of 3-vinyloxetane: A quantum chemical study Calvo-Losada S, Enriquez F, Martin-Ortiz J, Quirante JJ
2929 - 2933	Ab intio and kinetic study on CH3 radical reaction with H2CO Che CB, Zhang H, Zhang X, Liu Y, Liu B
2934 - 2942	Density-functional calculations on platinum nanoclusters: Pt-13, Pt-38, and Pt-55 Apra E, Fortunelli A
2943 - 2953	Gas-phase reactivity of lead(II) ions with D-glucose. Combined electrospray ionization mass spectrometry and theoretical study Salpin JY, Tortajada J
2954 - 2963	Gas-phase reaction pathways from SiH4 to Si2H6, Si2H4 and Si2H2: A theoretical study Hu SW, Wang Y, Wang XY, Chu TW, Liu XQ
2964 - 2973	Resonance Raman and DFT studies of tetra-tert-butyl porphine: Assignment of strongly enhanced distortion modes in a ruffled porphyrin Oakes RE, Spence SJ, Bell SEJ
2974 - 2980	Stable compounds of the lightest noble gases: A computational investigation of RNBeNg (Ng = He, Ne, Ar) Antoniotti P, Bronzolino N, Grandinetti F
2981 - 2989	Theoretical study of mechanisms, thermodynamics, and kinetics of the decomposition of gas-phase alpha-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) Zhang SW, Nguyen HN, Truong TN
2990 - 2999	Potential energy surface and product branching ratios for the reaction of C((3)Pj) with the allyl radical: An ab initio/RRKM study Nguyen TL, Mebel AM, Kaiser RI
3000 - 3004	Continuum solvent modeling of nonpolar solvation: Improvement by separating surface area dependent cavity and dispersion contributions Zacharias M