Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.30 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

6789 - 6793	A promising change in the selection of the circular polarization excitation used in the measurement of Eu(III) circularly polarized luminescence Do K, Muller FC, Muller G
6794 - 6799	Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functional Zhao Y, Truhlar DG
6800 - 6802	Hydrated electron extinction coefficient revisited Hare PM, Price EA, Bartels DM
6803 - 6807	Resonant nonlinear absorption in Zn-phthalocyanines De Boni L, Piovesan E, Gaffo L, Mendonca CR
6808 - 6810	A technique for in situ monitoring of crystallization from solution by solid-state C-13 CPMAS NMR spectroscopy Hughes CE, Harris KDM
6811 - 6822	Multiphoton control of the 1,3-cyclohexadiene ring-opening reaction in the presence of competing solvent reactions Carroll EC, White JL, Florean AC, Bucksbaum PH, Sension RJ
6823 - 6828	Cation spectroscopy and binding energy determination for 1,4-benzodioxan-Ar-1 and -Ar-2 complexes Gu QL, Knee JL
6829 - 6839	Molecular dynamics of host-guest complexes of small gas molecules with calix[4]arenes Adams JE, Cox JR, Christiano AJ, Deakyne CA
6840 - 6849	Size-selected infrared predissociation spectroscopy of neutral and cationic formamide-water clusters: Stepwise growth of hydrated structures and intracluster hydrogen transfer induced by vacuum-ultraviolet photoionization Sakai D, Matsuda Y, Hachiya M, Mori M, Fujii A, Mikami N
6850 - 6858	Experimental and theoretical studies on the complexes of [Pb-m-pyridyl](-) (m=1-4) Liu XJ, Han KL, Sun ST, Tang ZC, Qin ZB, Cui ZF
6859 - 6863	Nonradiative deexcitation dynamics of 9H-adenine: An OM2 surface hopping study Fabiano E, Thiel W
6864 - 6868	Investigation on critical aggregation concentration of carbosiloxane dendrimer in dilute solution probed by rhodamine B Zheng ML, Chen WQ, Duan XM
6869 - 6876	Control of molecular structures and photophysical properties of zinc(II) porphyrin dendrimers using bidentate guests: Utilization of flexible dendrimer structures as a controllable mold Yang J, Cho S, Yoo H, Park J, Li WS, Aida T, Kim D
6877 - 6883	The kinetics of competing multiple-barrier unimolecular dissociations of o-, m-, and p-chlorotoluene radical cations Seo J, Seo HI, Kim SJ, Shin SK
6884 - 6892	Exciplex mediated photoinduced electron transfer reactions of phthalocyanine-fullerene dyads Niemi M, Tkachenko NV, Efimov A, Lehtivuori H, Ohkubo K, Fukuzumi S, Lemmetyinen H
6893 - 6901	Spin-forbidden transitions in the vicinity of the 2 (1)Pi(u)<- X-1 Sigma(+)(g) band system of Rb-2 Lee Y, Lee S, Kim B
6902 - 6907	Reactions of actinide metal atoms with ethane: Computation and observation of new Th and U ethylidene dihydride, metallacyclopropane dihydride, and vinyl metal trihydride complexes Cho HG, Lyon JT, Andrews L
6908 - 6917	Isomerization and decomposition reactions in the pyrolysis of branched hydrocarbons: 4-methyl-1-pentyl radical McGivern WS, Awan IA, Tsang W, Manion JA
6918 - 6928	First principles study of the reaction of formic and acetic acids with hydroxyl radicals Sun WJ, Saeys M
6929 - 6935	Determination of individual proton affinities of reserpine from its UV-vis and charge-transfer spectra Ghosh BC, Deb N, Mukherjee AK
6936 - 6938	Raman, FTIR, photoacoustic-FTIR and inelastic neutron scattering spectra of alkaline earth and lanthanide salts of hexahydridoruthenate(II), A(2)RuH(6), (A = Ca, Sr, Eu) and their deuterides Barsan MM, Butler IS, Gilson DFR, Moyer RO, Zhou W, Wu H, Udovic TJ
6939 - 6949	A study of the reactive intermediate IF and I atoms with photoelectron spectroscopy Innocenti F, Eypper M, Beccaceci S, Morris A, Stranges S, West JB, King GC, Dyke JM
6950 - 6959	Hydrothermal C - C bond formation and disproportionation of acetaldehyde with formic acid Morooka S, Matubayasi N, Nakahara M
6960 - 6967	Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions Altarawneh M, Kennedy EM, Dlugogorski BZ, Mackie JC
6968 - 6977	Effect of relative humidity on OH uptake by surfaces of atmospheric importance Park JH, Ivanov AV, Molina MJ
6978 - 6991	Effects of complex formation on vibrational circular dichroism spectra Nicu VP, Neugebauer J, Baerends EJ
6992 - 6998	Evaluation of the molecular polarizability using the IPPP-CLOPPA-IND-O/S method. Application to molecules of biological interest Botek E, Giribet C, de Azua MR, Negri RM, Bernik D
6999 - 7014	Structures, electron affinities, and harmonic vibrational frequencies of the simplest alkyl peroxyl radicals and their anions Xu WG, Lu GY
7015 - 7026	Energies, stability and structure properties of radicals derived from organic sulfides containing an acetyl group after the (OH)-O-center dot attack: ab initio and DFT calculations vs experiment Berges J, Varmenot N, Scemama A, Abedinzadeh Z, Bobrowski K
7027 - 7034	Hydrated electron production by reaction of hydrogen atoms with hydroxide ions: A first-principles molecular dynamics study Renault JP, Vuilleumier R, Pommeret S
7035 - 7046	Optimal charge and charge response determination through conformational space: Global fitting scheme for representative charge and charge response kernel Ishida T
7047 - 7054	Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for CnH2n+2 where n = 2 -> 4 Aguilera-Iparraguirre J, Curran HJ, Klopper W, Simmie JM
7055 - 7063	Analysis of low-frequency phonons in guanosine dihydrate based on molecular dynamics simulations Yoneda S, Sugawara Y, Urabe H
7064 - 7071	Thermodynamics of the hydroxyl radical addition to isoprene Allodi MA, Kirschner KN, Shields GC
7072 - 7079	Methyl 3-amino-2,3,6,-trideoxy-L-hexopyranosides in DFT level theory conformational studies Nowacki A, Liberek B
7080 - 7089	Conjugation and hyperconjugation in conformational analysis of cyclohexene derivatives containing an exocyclic double bond Shishkina SV, Shishkin OV, Desenko SM, Leszczynski J
7090 - 7097	Initio studies on the photophysics of guanine tautomers: Out-of-plane deformation and NH dissociation pathways to conical intersections Yamazaki S, Domcke W
7098 - 7105	Theoretical investigation of nitration and nitrosation of dimethylamine by N2O4 Lv CL, Liu YD, Zhong RG
7106 - 7114	Systematic study of the influence of base-step parameters on the electronic coupling between base-pair dimers: Comparison of A-DNA and B-DNA forms Ivanova A, Shushkov P, Rosch N
7115 - 7123	Toward more efficient CCSD(T) calculations of intermolecular interactions in model hydrogen-bonded and stacked dimers Dedikova P, Pitonak M, Neogrady P, Cernusak I, Urban M