Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

3517 - 3520	Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field Yang ZZ, Li X
3521 - 3526	IR spectroscopy and density functional theory of small V+(N-2)(n) complexes Pillai ED, Jaeger TD, Duncan MA
3527 - 3530	Dynamics of the O(3P)+C2H4 reaction: Identification of five primary product channels (vinoxy, acetyl, methyl, methylene, and ketene) and branching ratios by the crossed molecular beam technique with soft electron ionization Casavecchia P, Capozza G, Segoloni E, Leonori F, Balucani N, Volpi GG
3531 - 3534	Formation of highly stabilized intramolecular dimer radical cation and pi-complex of [3(n)-]cyclophanes ((n)=3, 5, 6) during pulse radiolysis Fujitsuka M, Samori S, Hara M, Tojo S, Yamashiro S, Shinmyozu T, Majima T
3535 - 3541	Femtosecond excited state studies of the two-center three-electron bond driven twisted internal charge transfer dynamics in 1,8-bis(dimethylamino)naphthalene Balkowski G, Szemik-Hojniak A, van Stokkum IHM, Zhang H, Buma WJ
3542 - 3549	Quantum mechanical model for the dissociative adsorption of diatomic molecules on metal surfaces German ED, Kuznetsov AM, Sheintuch M
3550 - 3557	Mechanisms and kinetics of noncatalytic ether reaction in supercritical water. 1. Proton-transferred fragmentation of diethyl ether to acetaldehyde in competition with hydrolysis Nagai Y, Matubayasi N, Nakahara M
3558 - 3564	Mechanisms and kinetics of noncatalytic ether reaction in supercritical water. 2. Proton-transferred fragmentation of dimethyl ether to formaldehyde in competition with hydrolysis Nagai Y, Matubayasi N, Nakahara M
3565 - 3568	Photochemistry of kynurenine, a tryptophan metabolite: Properties of the triplet state Tsentalovich YP, Snytnikova OA, Sherin PS, Forbes MDE
3569 - 3577	5f(3) -> 5f(2)6d(1) absorption spectrum analysis of U3+-SrCl2 Karbowiak M
3578 - 3586	Matrix isolation FTIR spectroscopic and theoretical study of dimethyl sulfite Borba A, Gomes-Zavaglia A, Simoes PNNL, Fausto R
3587 - 3597	Transient phenomena in time- and frequency-gated spontaneous emission Gelin MF, Egorova D, Pisliakov AV, Domcke W
3598 - 3607	Interaction of ionic biomolecular building blocks with nonpolar solvents: Acidity of the imidazole cation (Im(+)) probed by IR spectra of Im(+)-L-n complexes (L = Ar, N-2; n <= 3) Andrei HS, Solca N, Dopfer O
3608 - 3616	Gas-phase ion/ion reactions of multiply protonated polypeptides with metal containing anions Newton KA, Amunugama R, McLuckey SA
3617 - 3625	Internal rotation in propionic acid: Near-infrared-induced isomerization in solid argon Macoas EMS, Khriachtchev L, Pettersson M, Fausto R, Rasanen M
3626 - 3636	Selected ion flow tube study of the reactions between gas phase cations and CHCl2F, CHClF2, and CH2ClF Howle CR, Mayhew CA, Tuckett RP
3637 - 3646	Theoretical determinations of the ambient conformational distribution and unimolecular decomposition of n-propylperoxy radical Merle JK, Hayes CJ, Zalyubovsky SJ, Glover BG, Miller TA, Hadad CM
3647 - 3651	Stirring-controlled bifurcations in the 1,4-cyclohexanedione-bromate reaction Zhao B, Wang JC
3652 - 3662	Atmospheric chemistry of CHF2CHO: Study of the IR and UV-vis absorption cross sections, photolysis, and OH-, Cl-, and NO3-initiated oxidation Sellevag SR, Stenstrom Y, Helgaker T, Nielsen CJ
3663 - 3668	An ab initio study on thermal rearrangement reactions of 1-silylprop-2-en-1-ol H3SiCH(OH)CH=CH2 Yu YM, Feng SY, Feng DC
3669 - 3681	Characterization of a closed-shell fluorine-fluorine bonding interaction in aromatic compounds on the basis of the electron density Matta CF, Castillo N, Boyd RJ
3682 - 3686	On the applicability of resonance forms in pyrimidinic bases. II. QTAIM interpretation of the sequence of protonation affinities Moa MJG, Mosquera RA
3687 - 3693	A theoretical study on the reaction mechanism for the Bergman cyclization from the perspective of the electron localization function and catastrophe theory Santos JC, Andres J, Aizman A, Fuentealba P, Polo V
3694 - 3703	Conformational study of the structure of free 18-crown-6 Al-Jallal NA, Al-Kahtani AA, El-Azhary AA
3704 - 3710	Interaction of porphine and its metal complexes with C-60 fullerene: A DFT study Basiuk VA
3711 - 3716	sigma-Aromaticity and sigma-antiaromaticity in saturated inorganic rings Li ZH, Moran D, Fan KN, Schleyer PV
3717 - 3721	Local aromaticities in large polyacene molecules Aihara J, Kanno H
3722 - 3727	The oxygen-rich carboxide series: COn (n=3, 4, 5, 6, 7, or 8) Elliott BM, Boldyrev AI
3728 - 3738	Computational study of the "stable" bis(amino)silylene reaction with halomethanes. A radical or concerted mechanism? Joo H, McKee ML
3739 - 3744	Trifluoromethanesulfenyl acetate, CF3S-OC(O)CH3, and trifluoromethanesulfenyl trifluoroacetate, CF3S-OC(O)CF3: Unexpected conformational properties Ulic SE, Kosma A, Leibold C, Della Vedova CO, Willner H, Oberhammer H
3745 - 3753	The effect of reduction on rhenium(I) complexes with binaphthyridine and biquinoline ligands: A spectroscopic and computational study Howell SL, Scott SM, Flood AH, Gordon KC
3754 - 3761	Theoretical studies of the substitution patterns of boron-nitrogen (BN) fullerenes: From C-50 up to C20B15N15CBN ball Xu XF, Shang ZF, Wang GC, Li RF, Cai ZS, Zhao XZ
3762 - 3766	Ultrasonic cleavage of thioethers Wu ZL, Ondruschka B, Stark A