Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.104, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

5161 - 5175	Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics Ben-Nun M, Quenneville J, Martinez TJ
5176 - 5180	Fast energy transfer of charge-transfer triplet excited state ((CT)-C-3) of [Ru(bpy)(3)](PF6)(2) to Os2+ at short distances in the crystal Tsushima M, Ikeda N, Nozaki K, Ohno T
5181 - 5189	Ultrafast relaxation processes of triarylpyrylium cations Gulbinas V, Markovitsi D, Gustavsson T, Karpicz R, Veber M
5190 - 5196	Effects of anions on the NMR relaxation of pyridinium and di-tert-butylpyridinium ions in acid solution. Implications for chemisorption on solid acids Farcasiu D, Lezcano M, Lukinskas P, Waldeck DH
5197 - 5203	Migration of a proton as a Function of solvation within {ROH}(n){H2O}H+ cluster ions: Experiment and theory Lyktey MMY, DeLeon RL, Shores KS, Furlani TR, Garvey JF
5204 - 5212	Binding energies and structures of NaI-(CH3CN)(n=1-9) clusters: Theoretical study of the contact ion pair versus the solvent-separated ion pair structures in a molecular cluster Gregoire G, Brenner V, Millie P
5213 - 5218	Zero-field splitting of the triplet ground and excited states of 7H-benz[de]anthracen-7-ylidene in n-hexane at 1.7 K: A hole burning study Kozankiewicz B, Aloshyna M, Sienkiewicz A, Orrit M, Tamarat P, Hadad CM, Snoonian JR, Platz MS
5219 - 5221	Observation of vibronic emission spectrum of the jet-cooled 2,6-difluorobenzyl radical Lee SK, Baek DY
5222 - 5229	Infrared and ab initio study of the relative stability and geometry of the 3-fluoropropene-hydrogen chloride van der Waals complexes Arp Z, Herrebout WA, Laane J, van der Veken BJ
5230 - 5237	Kinetic study of the OH plus isoprene and OH plus ethylene reactions between 2 and 6 torr and over the temperature range 300-423 K Chuong B, Stevens PS
5238 - 5245	Wetting of hydrophobic organic surfaces and its implications to organic aerosols in the atmosphere Rudich Y, Benjamin I, Naaman R, Thomas E, Trakhtenberg S, Ussyshkin R
5246 - 5253	Thermal decomposition of tin tetrachloride based on Cl- and Sn-concentration measurements Takahashi K, Kunz A, Woiki D, Roth P
5254 - 5264	An experimental method for testing reactivity models: A high-pressure discharge-flow study of H plus alkene and haloalkene reactions Clarke JS, Donahue NM, Kroll JH, Rypkema HA, Anderson JG
5265 - 5268	Isomerization of cubane radical cation Marcinek A, Rogowski J, Gebicki J, Chen GF, Williams F
5269 - 5274	Kinetic evidence for accumulation of stoichiometrically significant amounts of H2I2O3 during the reaction of I- with IO3- Agreda JA, Field RJ, Lyons NJ
5275 - 5280	Photocatalytic water oxidation in a buffered tris(2,2 ＇-bipyridyl)ruthenium complex-colloidal IrO2 system Hara M, Waraksa CC, Lean JT, Lewis BA, Mallouk TE
5281 - 5290	Polarizable model potential function for ion-methanol systems Nakagawa S
5291 - 5297	Structures of furanosides: A study of the conformational space of methyl alpha-D-lyxofuranoside by density functional methods Evdokimov AG, Martin JML, Kalb AJ
5298 - 5301	A computational review of an experimental hint at unusual hydrogen bonding in o-cresol cation radical Trindle C
5302 - 5306	DFT study of zeolite LTA structural fragments: Double four-member rings of oxygen-bridged silicon and aluminum atoms Uzunova EL, Nikolov GS
5307 - 5319	Structure and reactivity of dinitrogen pentoxide in small water clusters studied by electronic structure calculations McNamara JP, Hillier IH
5320 - 5327	Atomic mean dipole moment derivatives and GAPT charges de Oliveira AE, Haiduke RLA, Bruns RE
5328 - 5334	Temperature dependence of the deuterium quadrupole coupling constants and the correlation times for neat formamide Hansen MJ, Wendt MA, Farrar TC
5335 - 5342	Comparison between protonation, lithiation, and argentination of 5-oxazolones: A study of a key intermediate in gas-phase peptide sequencing Rodriquez CF, Shoeib T, Chu IK, Siu KWM, Hopkinson AC
5343 - 5350	Ab initio MCSCF study on the pseudo-Jahn-Teller distortion from planarity in cycloheptatriene, heptalene, and heptafulvalene Toyota A, Koseki S, Shiota M
5351 - 5357	Density functional calculation of structural and vibrational properties of glycerol Chelli R, Gervasio FL, Gellini C, Procacci P, Cardini G, Schettino V
5358 - 5365	"Napoleon hat" structure of tetraatomic molecules. A combined photoelectron spectroscopy and ab initio study of CAISi(2)(-) and its neutral Boldyrev AI, Li X, Wang LS
5366 - 5373	A theoretical study of the radiationless decay mechanism of cyclic alkenes in the lowest triplet state Woeller M, Grimme S, Peyerimhoff SD, Danovich D, Filatov M, Shaik S
5374 - 5379	Electronic structure of the 3d metal monoxide anions Gutsev GL, Rao BK, Jena P
5380 - 5387	Theoretical study of Pu and Cs incorporation in a mono-silicate neodymium fluoroapatite Ca9Nd(SiO4) (PO4)(5)F-2 Meis C, Gale JD, Boyer L, Carpena J, Gosset D
5388 - 5395	Analysis of fluorometric titration curves Novikov E, Stobiecka A, Boens N
5396 - 5400	Infinite-dilution partial molar properties of naphthalene and biphenyl in carbon dioxide from supercritical fluid chromatography: Composition effects in the stationary phase Jeon YP, Roth M, Kwon YJ