Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.5 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (52 articles)

1689 - 1693	Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters Zhai HJ, Wang LS, Zubarev DY, Boldyrev AI
1694 - 1697	Photoisomerization of cis,cis-1,4-diphenyl-1,3-butadiene in the solid state: The bicycle-pedal mechanism Saltiel J, Krishna TSR, Clark RJ
1698 - 1704	Hydrogen bonding properties of Coumarin 151, 500, and 35: The effect of substitution at the 7-amino position Das K, Jain B, Patel HS
1705 - 1717	Solvation dynamics of the electron produced by two-photon ionization of liquid polyols. 1. Ethylene glycol Soroushian B, Lampre I, Bonin J, Pernot P, Pommeret S, Mostafavi M
1718 - 1725	Electron-transfer oxidation properties of unsaturated fatty acids and mechanistic insight into lipoxygenases Kitaguchi H, Ohkubo K, Ogo S, Fukuzumi S
1726 - 1734	Characterizing the fluorescence intermittency and photobleaching kinetics of dye molecules immobilized on a glass surface Yeow EKL, Melnikov SM, Bell TDM, De Schryver FC, Hofkens J
1735 - 1739	Quenching mechanism of Rose Bengal triplet state involved in photosensitization of oxygen in ethylene glycol Shimizu O, Watanabe J, Naito S, Shibata Y
1740 - 1748	Computational characterization of low-lying states and intramolecular charge transfers in N-phenylpyrrole and the planar-rigidized fluorazene Xu XF, Cao ZX, Zhang QE
1749 - 1757	Mechanism of the cyclopropenone decarbonylation reaction. A density functional theory and transient spectroscopy study Poloukhtine A, Popik VV
1758 - 1766	Excited-state hydrogen-atom transfer along solvent wires: Water molecules stop the transfer Tanner C, Thut M, Steinlin A, Manca C, Leutwyler S
1767 - 1774	Flexible biradicals in liquid and supercritical carbon dioxide: The exchange interaction, the chain dynamics, and a comparison with conventional solvents Forbes MDE, Dukes KE, Avdievich NI, Harbron EJ, DeSimone JM
1775 - 1782	Density matrix analysis, simulation, and measurements of electronic absorption and fluorescence spectra of spirobifluorenes Lukes V, Palszegi T, Milota F, Sperling J, Kauffmann HF
1783 - 1790	Collision-energy-resolved penning ionization electron spectroscopy of phenylacetylene and diphenylacetylene by collision with He*(2(3)S) metastable atoms Borodin A, Yamazaki M, Kishimoto N, Ohno K
1791 - 1797	Electron impact ionization of haloalkanes in helium nanodroplets Yang SF, Brereton SM, Wheeler MD, Ellis AM
1798 - 1804	Liquid structure and preferential solvation of metal ions in solvent mixtures of N,N-dimethylformamide and N-methylformamide Fujii K, Kumai T, Takamuku T, Umebayashi Y, Ishiguro S
1805 - 1811	Surface-enhanced resonance Raman scattering and density functional calculations of hemicyanine adsorbed on colloidal silver surface Biswas N, Thomas S, Kapoor S, Mishra A, Wategaonkar S, Venkateswaran S, Mukherjee T
1812 - 1816	3,4-dimethylbenzyl radical formed in a corona discharge of 1,2,4-trimethylbenzene Lee GW, Lee SK
1817 - 1823	Infrared emission and theoretical study of carbon monoxide adsorbed on alumina-supported Rh, Ir, and Pt catalysts Koranyi TI, Mihaly J, Pfeifer E, Nemeth C, Yuzhakova T, Mink J
1824 - 1835	Experimental and theoretical O-17 NMR study of the influence of hydrogen-bonding on C=O and O-H oxygens in carboxylic solids Wong A, Pike KJ, Jenkins R, Clarkson GJ, Anupold T, Howes AP, Crout DHG, Samoson A, Dupree R, Smith ME
1836 - 1844	Ion-neutral potential models in atmospheric pressure ion mobility time-of-flight mass spectrometry IM(tof)MS Steiner WE, English WA, Hill HH
1845 - 1849	Noble gas-transition-metal complexes: Coordination of VO2 and VO4 by Ar and Xe atoms in solid noble gas matrixes Zhao YY, Gong Y, Chen MH, Zhou MF
1850 - 1858	Infrared spectra and density functional calculations for the Sc(OH)(2,3) and HOScO molecules and the Sc(OH)(2)(+) cation in solid argon Wang XF, Andrews L
1859 - 1867	Gas-phase molecular halogen formation from NaCl and NaBr aerosols: When are interface reactions important? Thomas JL, Jimenez-Aranda A, Finlayson-Pitts BJ, Dabdub D
1868 - 1874	Quantum chemical study of solvent and substituent effects on the 1,5-hydride shift in 2,6-dimethyl-2-heptyl cations Vrcek V, Vrcek IV, Siehl HU
1875 - 1880	Low-temperature rate coefficients for the reaction of ethynyl radical (C2H) with benzene Goulay F, Leone SR
1881 - 1893	Phase changes during hygroscopic cycles of mixed organic/inorganic model systems of tropospheric aerosols Marcolli C, Krieger UK
1894 - 1900	Effect of pH on one-electron oxidation chemistry of organoselenium compounds in aqueous solutions Mishra B, Priyadarsini KI, Mohan H
1901 - 1906	Rates and mechanisms of conversion of ice nanocrystals to ether clathrate hydrates: Guest-molecule catalytic effects at similar to 120 K Gulluru DB, Devlin JP
1907 - 1916	Experimental investigation of the homogeneous freezing of aqueous ammonium sulfate droplets Larson BH, Swanson BD
1917 - 1924	Isopropylcyclopropane plus OH gas phase reaction: A quantum chemistry plus CVT/SCT approach Galano A, Cruz-Torres A, Alvarez-Idaboy JR
1925 - 1933	Theoretical UV circular dichroism of cyclo(L.-proline-L-proline) Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA
1934 - 1942	pi* -> n fluorescence transition in formaldehyde in aqueous solution: A combined quantum chemical statistical mechanical study Ohrn A, Karlstrom G
1943 - 1950	Gas-phase deprotonation of uracil-Cu2+ and thiouracil-Cu2+ complexes Lamsabhi AM, Alcami M, Mo O, Yanez M, Tortajada J
1951 - 1959	Solid-state modeling of the terahertz spectrum of the high explosive HMX Allis DG, Prokhorova DA, Korter TM
1960 - 1967	Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine Remko M, Rode BM
1968 - 1974	Accurate heats of formation of the "Arduengo-Type" carbene and various adducts including H-2 from ab initio molecular orbital theory Dixon DA, Arduengo AJ
1975 - 1977	Reliable electron affinities of perfluorocyclopropane and perfluorocyclobutane from convergent ab initio computations ElSohly AM, Renault ML, Tschumper GS
1978 - 1981	Solvation of yttrium with ammonia revisited. Di-amide formation in the reaction of yttrium with ammonia Martinez A
1982 - 1990	Hydrogen transfer between sulfuric acid and hydroxyl radical in the gas phase: Competition among hydrogen atom transfer, proton-coupled electron-transfer, and double proton transfer Anglada JM, Olivella S, Sole A
1991 - 2004	Theoretical models on the Cu2O2 torture track: Mechanistic implications for oxytyrosinase and small-molecule analogues Cramer CJ, Wloch M, Piecuch P, Puzzarini C, Gagliardi L
2005 - 2020	Quantum chemical modeling of the reduction of quinones Wass JRTJ, Ahlberg E, Panas I, Schiffrin DJ
2021 - 2026	An investigation of chlorophenol proton affinities and their influence on the biological activity of microorganisms Basheer MM, Custodio R, Volpe PLO, Rittner R
2027 - 2033	Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction Tsuzuki S, Uchimaru T, Mikami M
2034 - 2038	Stability and thermal rearrangement of (E,E)-1,3-cycloheptadiene and trans-bicyclo[3.2.0]hept-6-ene Qin CY, Davis SR, Zhao ZD, Magers DH
2039 - 2044	Molecular structures and electronic transitions of 3,6-diphenyl-1,2-dithiin and its radical cation: a spectroelectrochemical and DFT study Hennig H, Schumer F, Reinhold J, Kaden H, Oelssner W, Schroth W, Spitzner R, Hartl F
2045 - 2052	Molecular structure and benzene ring deformation of three ethynylbenzenes from gas-phase electron diffraction and quantum chemical calculations Campanelli AR, Arcadi A, Domenicano A, Ramondo F, Hargittai I
2053 - 2059	Molecular structures and compositions of trans-1,2-dichlorocyclohexane and trans-1,2-difluorocyclohexane in the gas phase: An electron-diffraction investigation Richardson AD, Hedberg K, Utzat K, Bohn RK, Duan JX, Dolbier WR
2060 - 2064	Impact of local and density fitting approximations on harmonic vibrational frequencies Hrenar T, Rauhut G, Werner HJ
2065 - 2071	Origin of rotational barriers of the N-N bond in hydrazine: NBO analysis Song JW, Lee HJ, Choi YS, Yoon CJ
2072 - 2078	Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol Westh P, Kato H, Nishikawa K, Koga Y
2079 - 2079	"Temperature and pressure dependence of the multichannel rate coefficients for the CH3+OHsystem" Pereira RDA
2080 - 2080	"Temperature and pressure dependence of the multichannel rate coefficients for the CH3+OHsystem" - Reply Pilling MJ