Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.35 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

8531 - 8535	Vibrational structure of vinyl chloride cation studied by using one-photon zero-kinetic energy photoelectron spectroscopy Zhang P, Li J, Mo YX
8536 - 8551	A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics Valero R, Truhlar DG
8552 - 8560	Multi-triphenylamine-substituted porphyrin-fullerene conjugates as charge stabilizing "Antenna-Reaction center" mimics D'Souza F, Gadde S, Islam DMS, Wijesinghe CA, Schumacher AL, Zandler ME, Araki Y, Ito O
8561 - 8573	Heavy water reactions with atomic transition-metal and main-group cations: Gas phase room-temperature kinetics and periodicities in reactivity Cheng P, Koyanagi GK, Bohme DK
8574 - 8578	Spectral and photophysical characterization of donor-pi-acceptor arylthienyl- and bithienyl-benzothiazole derivatives in solution and solid state Pina J, de Melo SS, Burrows HD, Batista RMF, Costa SPG, Raposo MMM
8579 - 8587	Thermochemical studies of N-methylpyrazole and N-methylimidazole Villano SM, Gianola AJ, Eyet N, Ichino T, Kato S, Bierbaum VM, Lineberger WC
8588 - 8597	Boron dipyrromethene analogs with phenyl, styryl, and ethynylphenyl substituents: Synthesis, photophysics, electrochemistry, and quantum-chemical calculations Qin WW, Rohand TF, Dehaen W, Clifford JN, Driesen K, Beljonne D, Van Averbeke B, Van der Auweraer MD, Boens N
8598 - 8605	Absolute configuration and conformation analysis of 1-phenylethanol by matrix-isolation infrared and vibrational circular dichroism Spectroscopy combined with density functional theory calculation Shin-Ya K, Sugeta H, Shin S, Hamada Y, Katsumoto Y, Ohno K
8606 - 8621	Fluorescence polarization spectroscopy at combined high-aperture excitation and detection: application to one-photon-excitation fluorescence microscopy Fisz JJ
8622 - 8628	Reductive halogen elimination from phenols by organic radicals in aqueous solutions; Chain reaction induced by proton-coupled electron transfer Matasovic B, Bonifacic M
8629 - 8634	Release of oxygen atoms and nitric oxide molecules from the ultraviolet photodissociation of nitrate adsorbed on water ice films at 100 K Yabushita A, Kawanaka N, Kawasaki M, Hamer PD, Shallcross DE
8635 - 8641	Nucleation of bulk phases in the HCl/H2O system Henson BF, Wilson KR, Robinson JM, Nobel CA, Casson JL, Voss LF, Worsnop DR
8642 - 8649	Nonisothermal decomposition kinetics and computational studies on the properties of 2,4,6,8-tetranitro-2,4,6,8-tetraazabicyclo[3,3,1]onan-3,7-dione (TNPDU) Ma HX, Song JR, Zhao FQ, Hu RZ, Xiao HM
8650 - 8658	Signature of the conformational preferences of small peptides: a theoretical investigation Doslic NA, Kovacevic G, Ljubic I
8659 - 8662	Al7Ag and Al7Au clusters with large highest occupied molecular. Orbital-lowest unoccupied molecular orbital gap Chen MX, Yan XH, Wei SH
8663 - 8676	Toluene combustion: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical plus O-2 reaction da Silva G, Chen CC, Bozzelli JW
8677 - 8688	Ab initio thermochemistry of the hydrogenation of hydrocarbon radicals using silicon-, germanium-, tin-, and lead-substituted methane and isobutane Temelso B, Sherrill CD, Merkle RC, Freitas RA
8689 - 8698	On the chaperon mechanism: Application to ClO+ClO(+N-2)-> ClOOCl(+N-2) Lin JY, Barker JR
8699 - 8707	Secondary kinetics of methanol decomposition: Theoretical rate coefficients for (CH2)-C-3+OH, (CH2)-C-3+(CH2)-C-3, and (CH2)-C-3+CH3 Jasper AW, Klippenstein SJ, Harding LB
8708 - 8716	Cytosine in context: A theoretical study of substituent effects on the excitation energies of 2-pyrimidinone derivatives Kistler KA, Matsika S
8717 - 8723	Prediction of macroscopic properties of protic ionic liquids by ab initio calculations Markusson H, Belieres JP, Johansson P, Angell CA, Jacobsson P
8724 - 8730	Theoretical studies on structures and spectroscopic properties of a series of novel cationic [trans-(C boolean AND N)(2)Ir(PH3)(2)](+) (C boolean AND N = ppy, bzq, ppz, dfppy) Liu T, Zhang HX, Xia BH
8731 - 8740	Diamagnetic currents in the neutral He atoms Kato T, Yamabe T
8741 - 8748	Energetics of cresols and of methylphenoxyl radicals Richard LS, Bernardes CES, Diogo HP, Leal JP, da Piedade MEM