Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

10035 - 10038	Rovibrationally selected and resolved pulsed field ionization-photoelectron study of ethylene Wang P, Xing X, Baek SJ, Ng CY
10039 - 10043	Inverse heavy-atom kinetic isotope effects in chloroalkanes Green JR, Cooks RG
10044 - 10049	How inorganic anions affect the inclusion of hexanoic and decanoic acid in beta-cyclodextrin Lima S, Goodfellow BJ, Teixeira-Dias JJC
10050 - 10059	Vibrational and electronic spectroscopy of a donor-acceptor substituted distyrylbenzene and its covalent dimers\ Leng WN, Grunden J, Bartholomew GP, Bazan GC, Kelley AM
10060 - 10065	Ultrafast excited-state deprotonation and electron transfer in hydroxyquinoline derivatives Kim TG, Topp MR
10066 - 10071	Case study of a prototypical elementary insertion reaction: C(D-1)+H-2 -> CH+H Lin SY, Guo H
10072 - 10079	Ultrafast quenching of the xanthone triplet by energy transfer: New insight into the intersystem crossing kinetics Satzger H, Schmidt B, Root C, Zinth W, Fierz B, Krieger F, Kiefhaber T, Gilch P
10080 - 10088	Gas-phase reactions between urea and Ca2+: The importance of Coulomb explosions Corral I, Mo O, Yanez M, Salpin JY, Tortajada J, Radom L
10089 - 10093	Photoelectron spectroscopy of free polyoxoanions Mo6O192- and W6O192-in the gas phase Yang X, Waters T, Wang XB, O'Hair RAJ, Wedd AG, Li J, Dixon DA, Wang LS
10094 - 10098	Matrix isolation infrared spectroscopic and theoretical study of the interaction of water with dimethyl methylphosphonate Ault BS, David AB, Tevault D, Hurley M
10099 - 10106	The use of F-19 NMR to interpret the structural properties of perfluorocarboxylate acids: A possible correlation with their environmental disposition Ellis DA, Denkenberger KA, Burrow TE, Mabury SA
10107 - 10115	Intermolecular spectrum of liquid biphenyl studied by optical Kerr effect spectroscopy Rajian JR, Hyun BR, Quitevis EL
10116 - 10121	Argon cluster-mediated trapping and vibrational spectroscopic characterization of an OH-center dot HCH2 center dot intermediate in the O center dot-+CH4 reaction Diken EG, Weddle GH, Headrick JM, Weber JM, Johnson MA
10122 - 10132	Detailed kinetic modeling of silicon nanoparticle formation chemistry via automated mechanism generation Wong HW, Li XG, Swihart MT, Broadbelt LJ
10133 - 10140	Excited-state electron transfer in anthocyanins and related flavylium salts da Silva PF, Lima JC, Quina FH, Macanita AL
10141 - 10146	The rate constant ratio k(1)(Cl+C2H6)/k(2)(Cl+CH4) from 250 to 700 K Kaiser EW, Wallington TJ, Hashikawa Y, Kawasaki M
10147 - 10164	Low-molecular-weight and oligomeric components in secondary organic aerosol from the ozonolysis of cycloalkenes and alpha-pinene Gao S, Keywood M, Ng NL, Surratt J, Varutbangkul V, Bahreini R, Flagan RC, Seinfeld JH
10165 - 10172	H atom and H-2 elimination from Y+C2H2 Glendening ED
10173 - 10185	Conformational analysis and derivation of molecular mechanics parameters for esters and thioesters Nagy PI, Tejada FR, Sarver JG, Messer WS
10186 - 10193	Reactivity of trans- and cis-phenyldiazene induced by the internal rotation of the phenyl group Zevallos J, Letelier JR, Toro-Labbe A
10194 - 10199	Structural isomers of dihalosilanones. Theoretical determination of their geometries, spectroscopic constants, and potential energy surfaces Hargittai M, Reffy B
10200 - 10207	Highly accurate coupled cluster potential energy curves for the benzene dimer: Sandwich, T-shaped, and parallel-displaced configurations Sinnokrot MO, Sherrill CD
10208 - 10218	Semiempirical and ab initio studies of the structure and spectroscopy of the azo dye direct blue 1: Comparison with experiment Abbott LC, Batchelor SN, Oakes J, Smith JRL, Moore JN
10219 - 10224	Proton transfer of formamide plus nH(2)O (n=0-3): Protective and assistant effect of the water molecule Liang WC, Li HR, Hu XB, Han SJ
10225 - 10237	The vibronic structure of electronic absorption spectra of large molecules: A time-dependent density functional study on the influence of "Exact" Hartree-Fock exchange Dierksen M, Grimme S
10238 - 10244	Theoretical study on the photochemical behavior of diphenylacetylene in the low-lying excited states Amatatsu Y, Hosokawa M
10245 - 10251	Theoretical study of TiO-catalyzed hydrogenation of carbon dioxide to formic acid Hwang DY, Mebel AM
10252 - 10257	Quasiclassical state-selected trajectory study of O+H-3(+) reaction Cook RE, Eaker CW
10258 - 10269	Structures and energetics of adenosine radicals: (2'-dAdo-H) Evangelista FA, Schaefer HF
10270 - 10279	An orbital-based definition of radical and multiradical character Dutoi AD, Jung YS, Head-Gordon M
10280 - 10287	Quantum-chemical study of ion association in electrolyte systems containing LiAsF6 Popov SE, Nikiforov AE, Bushkova OV, Zhukovsky VM
10288 - 10295	Investigations of double proton transfer behavior between glycinamide and formamide using density functional theory Li P, Bu YX
10296 - 10301	Quantum chemical analysis of the chemical bonds in tris(8-hydroxyquinolinato)aluminum as a key emitting material for OLED Zhang JP, Frenking G
10302 - 10310	Reaction kinetics of a selected number of elementary processes involved in the thermal decomposition of 9-methylphenanthrene using density functional theory de Bruin TJM, Lorant F, Toulhoat H, Goddard WA
10311 - 10316	Magnitude of interaction between n-alkane chains and its anisotropy: High-level ab initio calculations of n-butane, n-petane, and n-hexane dimers Tsuzuki S, Honda K, Uchimaru T, Mikami M
10317 - 10325	Ab initio MR-CISD study of gas-phase basicity of formamide in the first excited singlet state Antol I, Eckert-Maksic M, Lischka H
10326 - 10335	Thermochemistry and electronic structure of the pyrrolyl radical Gianola AJ, Ichino T, Hoenigman RL, Kato S, Bierbaum VM, Lineberger WC
10336 - 10341	Intermolecular force fields of large molecules by the fragmentation reconstruction method (FRM): Application to a nematic liquid crystal Bizzarri M, Cacelli L, Prampolini G, Tani A
10342 - 10345	Computational investigation of SO3-NH3-nXn (n=0-3; X = F, Cl) interactions Solimannejad M, Boutalib A
10346 - 10353	Theoretical study on the thermochemistry of chlorinated and fluorinated germanes and their radical fragments Wang LM, Zhang JS
10354 - 10358	Ab initio studies on acid-base equilibria of substituted phenols Makowska J, Makowski M, Chmurzynski L
10359 - 10366	High-speed calculation of AIM charges through the electronegativity equalization method Bultinck P, Vanholme R, Popelier PLA, De Proft F, Geerlings P
10367 - 10375	Electronic transitions of thiouracils in the gas phase and in solutions: Time-dependent density functional theory (TD-DFT) study Shukla MK, Leszczynski J
10376 - 10379	Calculation of the ionization potentials of the DNA bases in aqueous medium Close DM