Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (51 articles)

8479 - 8486	Investigations of silicon-nitrogen hydrides from reaction of nitrogen atoms with silane: Experiments and calculations Chen WK, Lu IC, Chaudhuri C, Huang WJ, Lee SH
8487 - 8496	The key role of solvation dynamics in intramolecular electron transfer: Time-resolved photophysics of crystal violet lactone Schmidhammer U, Megerle U, Lochbrunner S, Riedle E, Karpiuk J
8497 - 8504	Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study Lei YB, Yuan SA, Dou YS, Wang YB, Wen ZY
8505 - 8514	Direct observation of photoinduced bent nitrosyl excited-state complexes Sawyer KR, Steele RP, Glascoe EA, Cahoon JF, Schlegel JP, Head-Gordon M, Harris CB
8515 - 8522	Indium phthalocyanines with different axial ligands: A study of the influence of the structure on the photophysics and optical limiting properties Dini D, Calvete MJF, Hanack M, Meneghettit M
8523 - 8528	CO coordination at XNi4 clusters with impurities X = H, C, O. A density functional study Petkov PS, Vayssilov GN, Kruger S, Rosch N
8529 - 8533	Electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene, and anthracene in fluorinated aromatic solvents Vinyard DJ, Su SJ, Richter MM
8534 - 8541	Theoretical study on the intracluster elimination channels for Mg+(CH3OH), Ca+(CH3OH), Mg+(NH3), and Ca+(NH3) Chan KW, Wu Y, Liu ZF
8542 - 8550	Solvation effects on the intracluster elimination channels in M+(L)(n), where M+ = Mg+ and Ca+, L = CH3OH, and NH3, and n=2-6 Chan KW, Wu Y, Liu ZF
8551 - 8560	Infrared spectroscopy of [XFeC24H12](+) (X = C5H5, C-5(CH3)(5)) complexes in the gas phase: Experimental and computational studies of astrophysical interest Simon A, Joblin C, Polfer N, Oomens J
8561 - 8568	An experimental and theoretical study of NSCl decomposition in the presence of trace amounts of water Guo Z, Zhao CY, Phillips DL, Robertson EG, McNaughton D
8569 - 8577	Kinetics and mechanism of oxidation of N, N'-Dimethylaminoiminomethanesulfinic acid by acidic bromate Otoikhian AA, Simoyi RH
8578 - 8584	Alkali metal ion binding to glutamine and glutamine derivatives investigated by infrared action spectroscopy and theory Bush MF, Oomens J, Saykally RJ, Williams ER
8585 - 8592	Formation of an ion-pair molecule with a single NH+center dot center dot center dot Cl- hydrogen bond: Raman spectra of 1,1,3,3-tetramethylguanidinium chloride in the solid state, in solution, and in the vapor phase Berg RW, Riisager A, Fehrmann R
8593 - 8599	FTIR and ab initio investigations of the MTBE - Water complex Li ZJ, Singh S
8600 - 8605	Kinetics of the reaction between nitroxide and thiyl radicals: Nitroxides as antioxidants in the presence of thiols Goldstein S, Samuni A, Merenyi G
8606 - 8611	Noble-gas-induced disproportionation reactions: Facile superoxo-to-peroxo conversion on chromium dioxide Zhao YY, Su J, Gong Y, Li J, Zhou MF
8612 - 8616	Hindered rotation of the silyl group in liquid-phase NMR spectra of 9-silyltriptycene derivatives: A comparison with the methyl analogues Ratajczyk T, Czerski I, Szymanski S
8617 - 8632	Enhanced intersystem crossing via a high energy charge transfer state in a perylenediimide-perylenemonoimide dyad Veldman D, Chopin SMA, Meskers SCJ, Janssen RAJ
8633 - 8640	Comparison of quantitative conformer analyses by nuclear magnetic resonance and Raman optical activity spectra for model dipeptides Budesinsky M, Danecek P, Bednarova L, Kapitan J, Baumruk V, Bour P
8641 - 8648	Peculiarity in the electronic structure of Cu(II) complex ferromagnetically coupled with bisimino nitroxides Ikoma T, Oshio H, Yamamoto M, Ohba Y, Nihei M
8649 - 8653	Singlet-triplet energy splitting and excited states of phenylnitrene Winkler M
8654 - 8658	Reactant stationary approximation in enzyme kinetics Hanson SM, Schnell S
8659 - 8664	Prochiral and chiral resolution in H-2 NMR spectra: Solutes in stretched and compressed gelatin gels Naumann C, Kuchel PW
8665 - 8677	The addition reaction between silylene and ethyne: Further isotope studies, pressure dependence studies, and quantum chemical calculations Becerra R, Cannady JP, Dormer G, Walsh R
8678 - 8685	Radicals produced by gamma-irradiation of hyperquenched glassy water containing 2'-deoxyguanosine-5' monophosphate Staluszka J, Steblecka M, Szajdzinska-Pietek E, Kohl I, Salzmann CG, Hallbrucker A, Mayer E
8686 - 8689	Electronic spectra of the MgC4H and MgC6H radicals Chasovskikh E, Jochnowitz EB, Maier JP
8690 - 8696	Matrix infrared spectroscopic and theoretical studies on the reactions of early lanthanoid atoms with nitrous oxide in excess argon Jiang L, Xu Q
8697 - 8705	Electroabsorption spectra of quadrupolar and octupolar dyes in solution: Beyond the Liptay formulation Sissa C, Terenziani F, Painelli A
8706 - 8714	The binding behavior of cyclodextrins toward a nitroxide spin probe in the presence of different alcohols as studied by EPR Franchi P, Pedulli GF, Lucarini M
8715 - 8722	The effect of NaOH on the liquid-phase hydrodechlorination of dioxins over Pd/gamma-Al2O3 Cobo MI, Conesa JA, de Correa CM
8723 - 8730	Kinetics and products of the gas-phase reactions of divinyl sulfoxide with OH and NO3 radicals and O-3 Aschmann SM, Tuazon EC, Long WD, Atkinson R
8731 - 8736	UV absorption cross-sections of a series of dimethylbenzaldehydes El Dib G, Chakir A, Mellouki A
8737 - 8751	Electronic structure, molecular interaction, and stability of the CH4-nH(2)O complex, for n=1-21 Bravo-Perez G, Cruz-Torres A, Romero-Martinez A
8752 - 8761	Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid Catak S, Monard G, Aviyente V, Ruiz-Lopez MF
8762 - 8766	Evaluation of incremental correlation energies for open-shell systems: Application to the intermediates of the 4-exo cyclization, Arduengo carbenes and an anionic water cluster Friedrich J, Hanrath M, Dolg M
8767 - 8774	Theoretical NMR spectroscopic analysis of the intramolecular proton transfer mechanism in ortho-hydroxyaryl (un-)substitued Schiff bases Zarycz N, Aucar GA
8775 - 8784	Substituent effects on singlet-triplet gaps and mechanisms of 1,2-rearrangements of 1,3-oxazol-2-ylidenes to 1,3-oxazoles Freeman F, Lau DJ, Patel AR, Pavia PR, Willey JD
8785 - 8789	Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: An experimental and theoretical investigation Anizelli PR, Vilcachagua JD, Cunha A, Tormena CF
8790 - 8796	Anion-anion assembly in crystal of sodium nitroprusside Nelyubina YV, Lyssenko KA, Kotov VY, Antipin MY
8797 - 8803	Probing intramolecular interactions in arylselenides using a property descriptor based approach Roy D, Patel C, Liebman JF, Sunoj RB
8804 - 8810	Modeling photoabsorption of the asFP595 chromophore Bravaya KB, Bochenkova AV, Granovsky AA, Savitsky AP, Nemukhin AV
8811 - 8823	Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: Comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides Gibbs GV, Downs RT, Cox DF, Rosso KM, Ross NL, Kirfel A, Lippmann T, Morgenroth W, Crawford TD
8824 - 8828	Theoretical study on the phenyl torsional potentials of trans-diphenyldiphosphene Amatatsu Y
8829 - 8838	MNDO parameters for the prediction of F-19 NMR chemical shifts in biologically relevant compounds Williams DE, Peters MB, Wang B, Merz KM
8839 - 8848	Extracting covalent and ionic structures from usual delocalized wave functions: The electron-expansion methodology Papanikolaou P, Karafiloglou P
8849 - 8857	Polarizable continuum model study on the solvent effect of polymer matrix in poly(ethylene oxide)-based solid electrolyte Eilmes A, Kubisiak P
8858 - 8867	Theoretical study of gallium nitride molecules, GaN2 and GaN4 Tzeli D, Theodorakopoulos G, Petsalakis ID
8868 - 8876	Investigation of a size-selective single hafnium-encapsulated germanium cage Wang J, Chen X, Liu JH
8877 - 8883	Theoretical mechanism study of UF6 hydrolysis in the gas phase Hu SW, Wang XY, Chu TW, Liu XQ
8884 - 8885	Comment on "Beyond the Benzene Dimer: An Investigation of the Additivity of pi-pi Interactions" Podeszwa R