Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.45 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (39 articles)

11395 - 11399	Computational study of the Zr4(+) tetranuclear polymer, [Zr-4(OH)8(H2O)(16)](8+) Rao N, Holerca MN, Klein ML, Pophristic V
11400 - 11409	Structure and photophysics of 2-(2'-pyridyl)benzindoles: The role of intermolecular hydrogen bonds Petkova I, Mudadu MS, Singh A, Thummel RP, van Stokkum IHM, Buma WJ, Waluk J
11410 - 11420	Electron detachment and relaxation of OH-(aq) Petersen C, Thogersen J, Jensen SK, Keiding SR
11421 - 11429	Experimental and theoretical studies of the reactions Y (a(2)D)+H2CO and Y (a(2)D)+CH3CHO Schroden JJ, Davis HF, Bayse CA
11430 - 11436	Electron transfer from the S-1 and S-2 states of pentacoordinated tetrapyrrole macrocycles to pyromellitic diimide as an axial ligand Harada K, Fujitsuka M, Sugimoto A, Majima T
11437 - 11443	Sensitized near-IR luminescence of Ln(III) complexes with benzothiazole derivatives Nah MK, Rho SG, Kim HK, Kang JG
11444 - 11449	Photochemical synthesis of H2O2 from the H2O center dot center dot center dot O(P-3) van der Waals complex: Experimental observations in solid krypton and theoretical modeling Pehkonen S, Marushkevich K, Khriachtchev L, Rasanen M, Grigorenko BL, Nemukhin AV
11450 - 11459	Reaction dynamics of phenyl radicals (C6H5, X(2)A') with methylacetylene (CH3CCH(X(1)A(1))), allene (H2CCCH2(X(1)A(1))), and their d4-isotopomers Gu X, Zhang FT, Guo Y, Kaiser RI
11460 - 11472	Production mechanisms of NH and NH2 radicals in N-2-H-2 plasmas van Helden JH, van den Oever PJ, Kessels WMM, de Sanden MCMV, Schram DC, Engeln R
11473 - 11479	Interplay between the keto defect and the interchain interaction on the green emission of fluorene-based polymer Wu YS, Li J, Ai XC, Fu LM, Zhang JP, Fu YQ, Zhou JJ, Li L, Bo ZS
11480 - 11486	Effects of liquid crystal environment on the spectroscopic and photophysical properties of well-known reacting systems 2,3-dimethylindole (DMI) and 9-cyanoanthracene (9CNA) Mandal P, Kundu S, Misra T, Roy SK, Ganguly T
11487 - 11492	Mechanistic study of thermal decomposition of isoprene (2-methyl-1,3-butadiene) using flash pyrolysis supersonic jet VUV photoionization mass spectrometry Weber KH, Zhang JS
11493 - 11499	Addition-elimination in the reaction of (alpha-hydroxyalkyl radicals with 3,5-pyridinedicarboxylic acid and nicotinic acid: Example of inner sphere organic electron transfer Dhiman SB, Naik DB
11500 - 11505	Theoretical study on the effects of internal noise for rate oscillations during CO oxidation on platinum(110) surfaces Juan M, Hou ZH, Xin HW
11506 - 11513	UV and IR absorption cross-sections of HCHO, HCDO, and DCDO Gratien A, Nilsson E, Doussin JF, Johnson MS, Nielsen CJ, Stenstrom Y, Picquet-Varrault B
11514 - 11523	Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: Steady-state spectroscopic studies Pradhan T, Biswas R
11524 - 11530	Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: Time-resolved fluorescence emission studies Pradhan T, Biswas R
11531 - 11539	The symmetry of two-photon excited states as determined by time-resolved fluorescence depolarization experiments Ryderfors L, Mukhtar E, Johansson LBA
11540 - 11551	Recombination of the hydrated electron at high temperature and pressure in hydrogenated alkaline water Marin TW, Takahashi K, Jonah CD, Chemerisov SD, Bartels DM
11552 - 11561	S-oxygenation of thiocarbamides. 3. Nonlinear kinetics in the oxidation of trimethylthiourea by acidic bromate Chigwada TR, Chikwana E, Ruwona T, Olagunju O, Simoyi RH
11562 - 11571	Generation of [La(peptide)](3+) complexes in the gas phase: Determination of the number of binding sites provided by dipeptide, tripeptide, and tetrapeptide ligands Shi TJ, Siu KWM, Hopkinson AC
11572 - 11578	Formation and characterization of the oxygen-rich scandium oxide/dioxygen complexes ScOn (n=4, 6, 8) in solid argon Gong Y, Ding CF, Zhou MF
11579 - 11583	First-principles simulation of amide and aromatic side chain ultraviolet spectroscopy of a cyclic dipeptide Li ZY, Mukamel S
11584 - 11588	Photoelectron detachment and solvated electron dynamics of the Cobalt(III) and Iron(III) oxalato complexes Zhang H, Chen J, Tomov IV, Dvornikov AS, Rentzepis PM
11589 - 11591	CH3+O-2 -> H2CO+OH revisited Srinivasan NK, Su MC, Michael JV
11592 - 11601	Infrared action Spectroscopy and dissociation dynamics of the HOOO radical Derro EL, Murray C, Sechler TD, Lester MI
11602 - 11607	Wavelength dependence of nitrate radical quantum yield from peroxyacetyl nitrate photolysis: Experimental and theoretical studies Flowers BA, Stanton JF
11608 - 11617	Kinetic study of the reactions of Cl atoms with CF2CH2CH2OH, CF3CF2CH2OH, CHF2CF2CH2OH, and CF3CHFCF2CH2OH Papadimitriou VC, Papanastasiou DK, Stefanopoulos VG, Zaras AM, Lazarou YG, Papagiannakopoulos P
11618 - 11625	Reactions of halogenated hydroperoxides and peroxyl and alkoxyl radicals from isoflurane in aqueous solution Flyunt R, Makogon O, Naumov S, Schoneich C, Asmus KD
11626 - 11637	First principles studies on boron sites in Zeolites Trudu F, Tabacchi G, Gamba A, Fois E
11638 - 11644	Structures, reductive dechlorination, and electron affinities of selected polychlorinated dibenzo-p-dioxins: Density functional theory study Zhao YY, Tao FM, Zeng EY
11645 - 11651	Intramolecular vibrational force fields for linear carbon chains through an adaptative linear scaling scheme Tommasini M, Fazzi D, Milani A, Del Zoppo M, Castiglioni C, Zerbi G
11652 - 11660	Atmospheric oxidation mechanism of bromoethane Martinez-Aviles M, Rosado-Reyes CM, Francisco JS
11661 - 11672	Highlighting the role of the medium in DFT analysis of the photophysical properties of ruthenium(II) polypyridine-type complexes Charlot MF, Aukauloo A
11673 - 11682	Electronic basis of the comparable hydrogen bond properties of small H2CO/(H2O)(n) and H2NO/(H2O)n systems (n=1, 2) Houriez C, Ferre N, Flament JP, Masella M, Siri D
11683 - 11700	An evaluation of harmonic vibrational frequency scale factors Merrick JP, Moran D, Radom L
11701 - 11705	Conformational preferences of 2-methoxy, 2-methylthio, and 2-Methylselenocyclohexyl-N,N-dimethylcarbamate: A theoretical and experimental investigation Cedran JC, dos Santos FP, Basso EA, Tormena CF
11706 - 11717	Multicoefficient gaussian-3 calculation of the rate constant for the OH+CH4 reaction and its C-12/C-13 kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment Ellingson BA, Pu J, Lin H, Zhao Y, Truhlar DG
11718 - 11724	Interpretation of bronsted acidity by triadic paradigm: A G3 study of mineral acids Vianello R, Malksic ZB