Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.5 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

783 - 786	Patterns of the ferrocyanide-iodate-sulfite reaction revisited: The role of immobilized carboxylic functions Szalai I, De Kepper P
787 - 789	Polymorphism in Br-2 clathrate hydrates Goldschleger IU, Kerenskaya G, Janda KC, Apkarian VA
790 - 793	Resonance hyper-Raman scattering of fullerene C-60 microcrystals Ikeda K, Uosaki K
794 - 796	Fast and reliable theoretical determination of pK(a)* for photoacids Jacquemin D, Perpete EA, Ciofini I, Adamo C
797 - 802	Molecular dynamics of hydrogen bonds in protein-D2O: The solvent isotope effect Sheu SY, Schlag EW, Selzle HL, Yang DY
803 - 807	Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination Hasegwa Y, Tsuruoka SI, Yoshida T, Kawai H, Kawai T
808 - 817	Visible-light-driven photoreactions of [(bpy)(2)Ru(II)L]Cl-2 in aqueous solutions (bpy = bipyridine, L=1,2-bis(4-(4'-methyl)-2,2'-bipyridyl) ethene) Zhang HY, Rajesh CS, Dutta PK
818 - 825	Collision energy dependence of the O(D-1)+HCl -> OH+Cl(P-2) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces Kohguchi H, Suzuki T, Nanbu S, Ishida T, Mil'nikov GV, Oloyede P, Nakamura H
826 - 832	Response dynamics to pulsed perturbations of the hydrogen peroxide-thiosulfate-Cu2+ reaction Pesek O, Kofrankova V, Schreiberova L, Schreiber I
833 - 838	Ion-pair interaction in pyridinium carboxylate solutions Berg ER, Green DD, Diane C, Moliva A, Bjerke BT, Gealy MW, Ulness DJ
839 - 848	Identification of conformational structures of 2-phenylethanol and its singly hydrated complex by mass selective high-resolution spectroscopy and ab initio calculations Karaminkov R, Chervenkov S, Neusser HJ
849 - 857	Surprisingly slow reaction of dimethylsilylene with dimethylgermane: Time-resolved kinetic studies and related quantum chemical calculations Becerra R, Boganov SE, Egorov MP, Faustov VI, Krylova IV, Nefedov OM, Promyslov VM, Walsh R
858 - 865	Temperature dependence of the rate coefficients for the reactions of Br atoms with dimethyl ether and diethyl ether Wheeler M, Mills R, Roscoe JM
866 - 879	Thermochemistry of N-N containing ions: A threshold photoelectron photoion coincidence spectroscopy study of ionized methyl- and tetramethylhydrazine Boulanger AM, Rennie EE, Holland DMP, Shaw DA, Mayer PM
880 - 888	Influence of steric confinement within zeolite Y on photoinduced energy transfer between [Ru(bpy)(3)](2+) and iron polypyridyl complexes Sewell G, Forster RJ, Keyes TE
889 - 897	Noncontact bimolecular photoionization followed by radical-ions separation and their geminate recombination assisted by coherent HFI induced spin-conversion Dodin DV, Ivanov AI, Burshtein AI
898 - 903	Electron photodetachment from gas phase peptide dianions. Relation with optical absorption properties Joly L, Antoine R, Broyer M, Lemoine J, Dugourd P
904 - 914	On the inoperativeness of the ESIPT process in the emission of 1-hydroxy-2-acetonaphthone: A reappraisal Catalan J, de Paz JLG
915 - 924	Excited state intramolecular charge transfer reaction in binary mixtures of water and tertiary butanol (TBA): Alcohol mole fraction dependence Pradhan T, Ghoshal P, Biswas R
925 - 933	Reactions of 1-naphthyl radicals with ethylene. Single pulse shock tube experiments, quantum chemical, transition state theory, and multiwell calculations Lifshitz A, Tamburu C, Dubnikova F
934 - 941	Experimental determination of energy disposal in the dissociative electron recombinations of CS2+ and HCS2+ Molek CD, Plasil R, McLain JL, Adams NG, Babcock LM
942 - 949	Valence electronic structures of CH2BrCl and CF2BrCl: Binding energy spectra and electron momentum distributions Li ZJ, Shan X, Yang XF, Chen LQ, Xu KZ, Chen XJ
950 - 959	Structure of protonated carbon dioxide clusters: Infrared photodissociation spectroscopy and ab initio calculations Douberly GE, Ricks AM, Ticknor BW, Duncan MA
960 - 965	A theoretical study of rate coefficients for the O+NO vibrational relaxation Caridade PJSB, Mota VC, Mohallem JR, Varandas AJC
966 - 972	Sticking coefficient and processing of water vapor on organic-coated nanoaerosols Chakraborty P, Zachariah MR
973 - 982	Soot platelets and PAHs with an odd number of unsaturated carbon atoms and pi electrons: Theoretical study of their spin properties and interaction with ozone Giordana A, Maranzana A, Ghigo G, Causa M, Tonachini G
983 - 988	Sigma stellation: A design strategy for electron boxes Irikura KK
989 - 999	Effect of a water molecule on the sugar puckering of uridine, 2'-deoxyuridine, and 2'-O-methyl uridine inserted in duplexes Barbe S, Le Bret M
1000 - 1012	Oxidation of methanol by FeO2+ in water: DFT calculations in the gas phase and ab initio MD simulations in water solution Louwerse MJ, Vassilev P, Baerends EJ
1013 - 1017	Effect of substituents on the GPx-like activity of ebselen: Steric versus electronic Pearson JK, Boyd RJ
1018 - 1023	Identification of the matrix shift: A fingerprint for neutral neon complex? Taketsugu Y, Noro T, Taketsugu T
1024 - 1032	Experimental and computational characterization of the O-17 quadrupole coupling and magnetic shielding tensors for p-nitrobenzaldehyde and formaldehyde Wu G, Mason P, Mo X, Terskikh V
1033 - 1039	Theoretical study of cytosine-Al, cytosine-Cu and cytosine-Ag (Neutral, anionic and cationic) Vazquez MV, Martinez A
1040 - 1053	ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation Chenoweth K, van Duin ACT, Goddard WA
1054 - 1063	Mechanism of the antioxidant action of silybin and 2,3-dehydrosilybin flavonolignans: A joint experimental and theoretical study Trouillas P, Marsal P, Svobodova A, Vostalova J, Gazak R, Hrbac J, Sedmera P, Kren V, Lazzaroni R, Duroux JL, Walterova D
1064 - 1070	Multicoefficient density functional theory (MC-DFT) Chen JL, Sun YL, Wu KJ, Hu WP
1071 - 1075	A density functional study of Ce@C-82: Explanation of the Ce preferential bonding site Muthukumar K, Larsson JA
1076 - 1084	Mechanism of hydrogen-bond array isomerization in tetrahydroxycalix[4]arene and tetrahydroxythiacalix[4]arene Matousek J, Cajan M, Kulhanek P, Koca J
1085 - 1089	Do computed crystal structures of nonpolar molecules depend on the electrostatic interactions? The case of tetracene Della Valle RG, Venuti E, Brillante A
1090 - 1094	Stability of N18C6H6: Triangular versus hexagonal structure Pinkston A, McAdory D, Jones J, Shields D, Langham R, Casey K, Strout DL