Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.17 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (51 articles)

5573 - 5584	Effect of electrolytes on the excited-state proton transfer and geminate recombination Leiderman P, Gepshtein R, Uritski A, Genosar L, Huppert D
5585 - 5591	Anomalous excited-state dynamics of Lucifer yellow CH in solvents of high polarity: Evidence for an intramolecular proton transfer Panda D, Mishra PP, Khatua S, Koner AL, Sunoj RB, Datta A
5592 - 5598	Photofragmentation of the fluorene cation: I. New experimental procedure using sequential multiphoton absorption Van-Oanh NT, Desquelles P, Douin S, Brechignac P
5599 - 5606	Photofragmentation of the fluorene cation: II. Determination of the H-loss energy-dependent rate constant Van-Oanh NT, Desquelles P, Brechignac P
5607 - 5612	Spectroscopic characterization of peroxynitrous acid in cis-perp configurations Li EXJ, Konen IM, Lester MI, McCoy AB
5613 - 5619	Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model Neumann S, Eisfeld W, Sobolewski AL, Domcke W
5620 - 5628	High-resolution infrared spectroscopy of HCN-Zn-n (n=1-4) clusters: Structure determination and comparisons with theory Stiles PL, Miller RE
5629 - 5635	An ab initio study of the absorption spectra of indirubin, isoindigo, and related derivatives Perpete EA, Preat J, Andre JM, Jacquemin D
5636 - 5641	Infrared spectroscopic and density functional theory studies on the CO dissociation by scandium and yttrium dimers Jiang L, Xu Q
5642 - 5649	Singlet and triplet excited-state interactions and photochemical reactivity of phenyleneethynylene oligomers Sudeep PK, James PV, Thomas KG, Kamat PV
5650 - 5655	Studies of the inner reorganization energies of the cation radicals of 1,4-bis(dimethylamino)benzene, 9,10-bis(dimethylamino)anthracene, and 3,6-bis(dimethylamino)durene by photoelectron spectroscopy and reinterpretation of the mechanism of the electrochemical oxidation of the parent diamines Gruhn NE, Macias-Ruvalcaba NA, Evans DH
5656 - 5664	An EPR study of the C-O bond activation of 1,2-epoxybutane by ground-state Al atoms Joly HA, Beaudet L, Dai X
5665 - 5673	Photophysical processes involved within the anisole-thioindoxyl dyad system Bhattacharya S, Pradhan TK, De A, Chaudhury SR, De AK, Ganguly T
5674 - 5684	Conformational stability from temperature-dependent Fourier transform infrared spectra of noble gas solutions, r(0) structural parameters, and barriers to internal rotation for ethylamine Durig JR, Zheng C, Gounev TK, Herrebout WA, van der Veken BJ
5685 - 5691	Bis(trifluoroaceto) disulfide (CF3C(O)OSSOC(O)CF3): A HeI photoelectron spectroscopy and theoretical study Zeng XQ, Ge MF, Sun Z, Wang DX
5692 - 5717	Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 1. The acids as nondissociating components Clegg SL, Seinfeld JH
5718 - 5734	Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 2. Systems including dissociation equilibria Clegg SL, Seinfeld JH
5735 - 5739	Transannular distance dependence of stabilization energy of the intramolecular dimer radical cation of cyclophanes Fujitsuka M, Cho DW, Tojo S, Yamashiro S, Shinmyozu T, Majima T
5740 - 5744	Guanine alkylation by ethylene oxide: Calculation of chemical reactivity Kranjc A, Mavri J
5745 - 5750	Do NAD and NAT form in liquid stratospheric aerosols by pseudoheterogeneous nucleation? Knopf DA
5751 - 5759	Oxidation of gas-phase protactinium ions, Pa+ and Pa2+: Formation and properties of PaO22+(g), protactinyl Santos M, de Matos AP, Marcalo J, Gibson JK, Haire RG, Tyagi R, Pitzer RM
5760 - 5771	Isomeric effects in the gas-phase reactions of dichloroethene, C2H2Cl2, with a series of cations Mikhailov VA, Parkes MA, Tuckett RP, Mayhew CA
5772 - 5781	Pathways and rate coefficients for the decomposition of vinoxy and acetyl radicals Senosiain JP, Klippenstein SJ, Miller JA
5782 - 5791	A combined experimental and theoretical study on the conformational behavior of a calix[6] arene Boulet B, Joubert L, Cote G, Bouvier-Capely C, Cossonnet C, Adamo C
5792 - 5797	Atomistic molecular modeling of the effect of chromophore concentration on the electro-optic coefficient in nonlinear optical polymers Leahy-Hoppa MR, Cunningham PD, French JA, Hayden LM
5798 - 5802	Enthalpies of hydration of N-methylacetamide by one, two, and three waters and the effect upon the C=O stretching frequency. An ab initio DFT study Dannenberg JJ
5803 - 5808	Ab initio MO analysis of interaction paths between radicals in ferromagnetic organic systems Orimoto Y, Imai T, Naka K, Aoki Y
5809 - 5822	Larger water clusters with edges and corners on their way to ice: Structural trends elucidated with an improved parallel evolutionary algorithm Bandow B, Hartke B
5823 - 5830	Intertrimer and intratrimer metallophilic and excimeric bonding in the ground and phosphorescent states of trinuclear coinage metal pyrazolates: A computational study Grimes T, Omary MA, Dias HVR, Cundari TR
5831 - 5838	A gas- and condensed-phase density functional study of donor-acceptor complexes of sulfur trioxide Ida BN, Fudacz PS, Pulsifer DH, Standard JM
5839 - 5846	Effect of particle size on the oxidizability of platinum clusters Xu Y, Shelton WA, Schneider WF
5847 - 5852	A theoretical study of properties and reactions involving arsenic and selenium compounds present in coal combustion flue gases Urban DR, Wilcox J
5853 - 5859	Direct dynamics study on hydrogen abstraction reaction of CF3CF2CH2OH with OH radical Wang Y, Liu JY, Li ZS, Wang L, Wu JY, Sun CC
5860 - 5868	Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors Ozen AS, De Proft F, Aviyente V, Geerlings P
5869 - 5873	EPR theoretical study of local molecular structure and thermal expansion coefficient for octahedral Mn2+ centers in zinc fluosilicate Mao AJ, Kuang XY, Wang H, Lu C
5874 - 5886	Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods Fu Y, Liu L, Wang YM, Li JN, Yu TQ, Guo QX
5887 - 5892	Thermochemistry of the hypobromous and hypochlorous acids, HOBr and HOCl Denis PA
5893 - 5896	Evaluation of effective core potentials and basis sets for the prediction of the geometries of alkyltin halides Whittleton SR, Boyd RJ, Grindley TB
5897 - 5900	Sparkle/AM1 structure modeling of lanthanum (III) and lutetium (III) complexes Freire RO, da Costa NB, Rocha GB, Simas AM
5901 - 5908	Equilibrium geometries and associated energetic properties of mixed metal-silicon clusters from global optimization Wu J, Hagelberg F
5909 - 5918	Theoretical investigation of the (hyper) polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study Alparone A, Reis H, Papadopoulos MG
5919 - 5928	BAC-MP4 predictions of thermochemistry for gas-phase antimony compounds in the Sb-H-C-O-Cl system Skulan AJ, Nielsen IMB, Melius CF, Allendorf MD
5929 - 5933	Computational studies on polynitrohexaazaadmantanes as potential high energy density materials Xu XJ, Xiao HM, Ju XH, Gong XD, Zhu WH
5934 - 5941	On the electron donor and the electrophilic substitution activating abilities of substituents in uracil Moa MJG, Mosquera RA
5942 - 5947	Quantification of intramolecular nonbonding interactions in organochalcogens Roy D, Sunoj RB
5948 - 5951	Stabilities and properties of complexes pairing hydroperoxyl radical with monohalomethanes Solimannejad M, Scheiner S
5952 - 5959	Assessment of several hybrid DFT functionals for the evaluation of bond length alternation of increasingly long oligomers Jacquemin D, Femenias A, Chermette H, Ciofini I, Adamo C, Andre JM, Perpete EA
5960 - 5964	Structure and stability of salicylic acid-water complexes and the effect of molecular hydration on the spectral properties of salicylic acid Tiwari AK, Sathyamurthy N
5965 - 5965	Theoretical UV circular dichroism of cyclo(L-proline-L-proline) (vol 110, pg 1928, 2006) Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA
5965 - 5965	On the coupling of vibrational relaxation with the dissociation -Recombination kinetics: From dynamics to aerospace applications (vol 104, pg 8933, 2004) Capitelli M, Colonna G, Esposito F
5965 - 5965	High-precision quantum thermochemistry on nonquasiharmonic potentials: Converged path-integral free energies and a systematically convergent family of generalized Pitzer-Gwinn approximations (vol 109, pg 5967, 2005) Lynch VA, Mielke SL, Truhlar DG