Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.45 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (38 articles)

10177 - 10179	Experimental advances for high-speed evaluation of electron densities Luger P, Wagner A, Hubschle CB, Troyanov SI
10180 - 10182	Infrared spectra of V(n)Bz(n+1) sandwich clusters: A theoretical study of size evolution Wang JL, Jellinek J
10183 - 10188	Synthesis and photochemical properties of a photochromic iron(II) complex of hexaarylbiimidazole Miyamoto Y, Kikuchi A, Iwahori F, Abe J
10189 - 10198	Two competitive routes in the lactim-lactam phototautomerization of a hydroxypyridine derivative cation in water: Dissociative mechanism versus water-assisted proton transfer Penedo JC, Rodriguez MCR, Lema IG, Lustres JLP, Mosquera M, Rodriguez-Prieto F
10199 - 10207	Coherent nuclear wavepacket motions in ultrafast excited-state intramolecular proton transfer: Sub-30-fs resolved pump-probe absorption spectroscopy of 10-hydroxybenzo[h]quinoline in solution Takeuchi S, Tahara T
10208 - 10215	Collisions of slow polyatomic ions with surfaces: Dissociation and chemical reactions of C2H2+center dot, C2H3+, C2H4+center dot C2H5+, and their deuterated variants C2D2+center dot and C2D4+center dot on room-temperature and heated carbon surfaces Jasik J, Zabka J, Feketeova L, Ipolyi I, Mark TD, Herman Z
10216 - 10221	Chemically induced dynamic electron polarization generated through the interaction between singlet molecular oxygen and nitroxide radicals Martinez CG, Jockusch S, Ruzzi M, Sartori E, Moscatelli A, Turro NJ, Buchachenko AL
10222 - 10231	Prediction of supercritical ethane bulk solvent densities for pyrazine solvation shell average occupancy by 1, 2, 3, and 4 ethanes: Combined experimental and ab initio approach Hrnjez BJ, Sultan ST, Natanov GR, Kastner DB, Rosman MR
10232 - 10238	Theoretical study of vibrational and optical spectra of methylene-bridged oligofluorenes Lukes V, Aquino A, Lischka H
10239 - 10248	Photodissociation dynamics of the ethoxy radical investigated by photofragment coincidence imaging Faulhaber AE, Szpunar DE, Kautzman KE, Neumark DM
10249 - 10256	Hard and soft X-ray absorption spectroscopic investigation of aqueous Fe(III)-hydroxamate siderophore complexes Edwards DC, Myneni SCB
10257 - 10263	Unimolecular dissociations of C-70(+) and its noble gas endohedral cations Ne@C-70(+) and Ar@C-70(+): Cage-binding energies for C-2 loss Cao BP, Peres T, Cross RJ, Saunders M, Lifshitz C
10264 - 10272	Absorption spectra of ground-state and low-lying electronic states of copper nitrosyl: A rare gas matrix isolation study Krim L, Wang XF, Manceron L, Andrews L
10273 - 10279	Vibrational spectra and structure of CH3Cl : H2O, CH3Cl : HDO, and CH3Cl : complexes. IR matrix isolation and ab initio calculations Dozova N, Krim L, Alikhani ME, Lacome N
10280 - 10286	Infrared emission spectra and equilibrium structures of gaseous HgH2 and HgD2 Shayesteh A, Yu SS, Bernath PF
10287 - 10293	CH(A(2)Delta) formation in hydrocarbon combustion: The temperature dependence of the rate constant of the reaction C2H+O-2 -> CH(A(2)Delta)+CO2 Elsamra RMI, Vranckx S, Carl SA
10294 - 10301	Radiolysis of aqueous solutions of 1,1-and 1,2-dichloroethane Pimblott SM, Milosavljevic BH, LaVerne JA
10302 - 10306	Temperature compensation in the oscillatory Bray reaction Kovacs K, Hussami LL, Rabai G
10307 - 10313	Theoretical study on reaction mechanism of the cyanogen radical with nitrogen dioxide Zhang JX, Li ZS, Liu JY, Sun CC
10314 - 10322	Uncatalyzed reactions in the classical Belousov-Zhabotinsky system. I. Reactions of bromomalonic acid with acidic bromate and with HOBr Onel L, Bourceanu G, Wittmann M, Noszticzius Z
10323 - 10341	The classification of solvents by combining classical QSPR methodology with principal component analysis Katritzky AR, Fara DC, Kuanar M, Hur E, Karelson M
10342 - 10347	The C-H and alpha(C-X) bond dissociation enthalpies of toluene, C6H5-CH2X (X = F, Cl), and their substituted derivatives: A DFT study Nam PC, Nguyen MT, Chandra AK
10348 - 10356	Quantum chemical characterization of the structures, thermochemical properties, and singlet-triplet splittings of didehydroquinolinium and didehydroisoquinolinium ions Nash JJ, Kenttamaa HI, Cramer CJ
10357 - 10362	Electronic spectrum and photodissociation of ClONO in comparison to BrONO Lesar A, Kovacic S, Hodoscek M, Muhlhauser M, Peyerimhoff SD
10363 - 10372	Ab initio thermochemistry involving heavy atoms: An investigation of the reactions Hg+IX (X=1, Br, Cl, O) Shepler BC, Balabanov NB, Peterson KA
10373 - 10379	An evaluation of various computational methods for the treatment of organoselenium compounds Pearson JK, Ban FQ, Boyd RJ
10380 - 10387	Ab initio and DFT study of the geometric structures and static dipole (hyper)polarizabilities of aromatic anions Castellano O, Bermudez Y, Giffard M, Mabon G, Cubillan N, Sylla M, Nguyen-Phu X, Hinchliffe A, Soscun H
10388 - 10395	Correlated MO study of the low-barrier intramolecular motions in donor-acceptor ethenes Bakalova SM, Frutos LM, Kaneti J, Castano O
10396 - 10402	Theoretical study of low-lying triplet states of aniline Hou XJ, Quan P, Holtzl T, Veszpremi T, Nguyen MT
10403 - 10409	Chemical exchange reaction of glycinatocopper(II) complex in water: A theoretical study Hattori T, Toraishi T, Tsuneda T, Nagasaki S, Tanaka S
10410 - 10417	Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer Swalina C, Hammes-Schiffer S
10418 - 10423	Aggregation of poly(ethylene oxide)-poly(propylene oxide) block copolymers in aqueous solution: DPD simulation study Cao XR, Xu GY, Li YM, Zhang ZQ
10424 - 10437	Microsolvation of F- in water Muller IB, Cederbaum LS
10438 - 10444	Toward an understanding of the catalytic role of hydrogen-bond donor solvents in the hetero-Diels-Alder reaction between acetone and butadiene derivative Polo V, Domingo LR, Andres J
10445 - 10450	Rare tautomer hypothesis supported by theoretical studies: Ab initio investigations of prototropic tautomerism in the N-methyl-P base Podolyan Y, Gorb L, Leszczynski J
10451 - 10458	Photodissociation reaction of 1,2-diiodoethane in solution: A theoretical and X-ray diffraction study Kong QY, Kim J, Lorenc M, Kim TK, Ihee H, Wulff M
10459 - 10466	Time-resolved chemically induced dynamic nuclear polarization studies of structure and reactivity of methionine radical cations in aqueous solution as a function of pH Morozova OB, Korchak SE, Sagdeev RZ, Yurkovskaya AV
10467 - 10473	Activation barriers for addition of methyl radicals to oxygen-stabilized carbocations Traeger JC, Morton TH