Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.52 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (45 articles)

11470 - 11476	Photodissociation dynamics of 1,3-butadiene at 157 nm Mu XL, Lu IC, Lee SH, Wang XY, Yang XM
11477 - 11484	Photoionization dynamics of glycine: The first 10 picoseconds Shemesh D, Chaban GM, Gerber RB
11485 - 11493	Frequency and time-resolved triply vibrationally enhanced four-wave mixing spectroscopy Meyer KA, Wright JC, Thompson DE
11494 - 11499	Theoretical studies of the reductive C-S bond cleavage in complexes of the form [M(9S3)(2)](2+) (M = Re, Tc, and Ru; 9S3=1,4,7-trithiacyclononane) Maurer P, Magistrato A, Rothlisberger U
11500 - 11510	Metal dihydride (MH2) and dimer (M2H4) structures in solid argon, neon, and hydrogen (M = Ca, Sr, and Ba): Infrared spectra and theoretical calculations Wang XF, Andrews L
11511 - 11520	Infrared spectra of magnesium hydride molecules, complexes, and solid magnesium dihydride Wang XF, Andrews L
11521 - 11525	Assignment of electronic transitions and electron-phonon coupling of Er3+ doped into Y2O3 Tanner PA, Zhou XJ, Liu FG
11526 - 11536	Unimolecular dissociation of formyl radical, HCO -> H plus CO, studied over 1-100 bar pressure range Krasnoperov LN, Chesnokov EN, Stark H, Ravishankara AR
11537 - 11544	Carbon kinetic isotope effects in the gas phase reactions of light alkanes and ethene with the OH radical at 296 +/- 4 K Anderson RS, Huang L, Iannone R, Thompson AE, Rudolph J
11545 - 11553	Spectroscopic studies of the intermediates in the conversion of 1,4,11,12-tetrahydro-9,10-anthraquinone to 9,10-anthraquinone by reaction with oxygen under basic conditions Mattar SM, Emwas AH, Calhoun LA
11554 - 11558	Thermal unimolecular elimination of water from tert-butyl alcohol: Deuterium kinetic isotope effects, transition structure, reaction path, and mechanism Kalra BL, Lewis DK, Singer SR, Raghavan AS, Baldwin JE, Hess BA
11559 - 11572	Formation of molecular bromine from the reaction of ozone with deliquesced NaBr aerosol: Evidence for interface chemistry Hunt SW, Roeselova M, Wang W, Wingen LM, Knipping EM, Tobias DJ, Dabdub D, Finlayson-Pitts BJ
11573 - 11579	Adsorption of atmospherically relevant gases at the air/water interface: Free energy profiles of aqueous solvation of N-2, O-2, O-3, OH, H2O, HO2, and H2O2 Vacha R, Slavicek P, Mucha M, Finlayson-Pitts BJ, Jungwirth P
11580 - 11590	UV resonance Raman spectra and molecular orbital calculations of salicylic and phthalic acids complexed to Alw(3+) in solution and on mineral surfaces Trout CC, Kubicki JD
11591 - 11599	Oxyhalogen-sulfur chemistry: Kinetics and mechanism of oxidation of guanylthiourea by acidified bromatel Chikwana E, Otoikhian A, Simoyi RH
11600 - 11608	Deliquescence and crystallization of ammonium sulfate particles internally mixed with water-soluble organic compounds Parsons MT, Knopf DA, Bertram AK
11609 - 11612	Sonochemical efficiency during single-bubble cavitation in water Koda S, Tanaka K, Sakamoto H, Matsuoka T, Nomura H
11613 - 11625	Muonium formation as a probe of radiation chemistry in sub- and supercritical carbon dioxide Ghandi K, Bridges MD, Arseneau DJ, Fleming DG
11626 - 11634	Kinetics of surface-bound benzo[a]pyrene and ozone on solid organic and salt aerosols Kwamena NOA, Thornton JA, Abbatt JPD
11635 - 11643	Mechanisms and kinetics of acetaldehyde reaction in supercritical water: Noncatalytic disproportionation, condensation, and decarbonylation Nagai Y, Morooka S, Matubayasi N, Nakahara M
11644 - 11650	Ab Initio/RRKM study of the O(D-1)+NH3 reaction: Prediction of product branching ratios Wang L, Mebel AM, Yang XM, Wang XY
11651 - 11663	Unimolecular decomposition of beta-hydroxyethylperoxy radicals in the HO center dot-initiated oxidation of ethene: A theoretical study Olivella S, Sole A
11664 - 11678	Molecular applications of a state-specific multireference coupled electron-pair approximation (SS-MRCEPA)-like method Chattopadhyay S, Mahapatra US
11679 - 11683	Molecular prototypes for simple SiO2 potentials Al-Derzi AR, Cory MG, Runge K, Trickey SB
11684 - 11690	Thermochemistry of small organosulfur compounds from a initio calculations Gomes JRB, da Silva MAVR
11691 - 11702	On the delocalization of electrons in atoms and molecules Fulton RL
11703 - 11708	Conformational effects on glycine ionization energies and Dyson orbitals Herrera B, Dolgounitcheva O, Zakrzewski VG, Toro-Labbe A, Ortiz JV
11709 - 11714	Density functional theory studies on transimination of vitamin B6 analogues through geminal diamine formation Salva A, Donoso J, Frau J, Munoz F
11715 - 11720	Formation of the cyclo-pentazolate N-5(-) anion by high-energy dissociation of phenylpentazole anions Belau L, Haas Y, Zilberg S
11721 - 11727	Tri-s-triazine and its nitrogen isoelectronic equivalents: An ab initio study Zheng WX, Wong NB, Li WK, Tian A
11728 - 11732	Visualizing degrees of aromaticity for different barbaralane systems Kirchner B, Sebastiani D
11733 - 11739	D-5h C-50 fullerene: A building block for oligomers and solids? Zhechkov L, Heine T, Seifert G
11740 - 11751	Conformational preferences in the transition states and tetrahedral intermediates of transacylations. Relationships to enzyme-bound conformations of phosphonate inhibitors of lipases and esterases Takano Y, Houk KN
11752 - 11761	Chiroptical properties of some monoazapentahelicenes Lebon F, Longhi G, Gangemi F, Abbate S, Priess J, Juza M, Bazzini C, Caronna T, Mele A
11762 - 11767	Predicted signs of one-bond spin-spin coupling constants ((1h)J(H-Y)) across X-H-Y hydrogen bonds for complexes with Y=N-15, O-17, and F-19 Del Bene JE, Elguero J
11768 - 11778	Structure of solvated Fe(CO)(5): A concerted XAFS, FTIR, and DFT study of solvation in fluorinated arenes Lee T, Welch E, Rose-Petruck CG
11779 - 11782	Orientation dependence of the reaction of K+CH3Cl Maclagan RGAR
11783 - 11792	Dependence of calculated NMR proton chemical shifts on electron density properties in proton-transfer processes on short strong hydrogen bonds Pacios LF, Gomez PC
11793 - 11808	Kinetic isotope effects for nonadiabatic proton transfer reactions in a polar environment. 1. Interpretation of tunneling kinetic isotopic effects Kiefer PM, Hynes JT
11809 - 11818	Kinetic isotope effects for nonadiabatic proton transfer reactions in a polar environment. 2. Comparison with an electronically diabatic description Kiefer PM, Hynes JT
11819 - 11827	Understanding the effects of concentration on the solvation structure of Ca2+ in aqueous solutions. II: Insights into longer range order from neutron diffraction isotope substitution Badyal YS, Barnes AC, Cuello GJ, Simonson JM
11828 - 11837	Theoretical study on the structures and stability of SiC3P isomers Liu HL, Huang XR, Chen GH, Ding YH, Sun CC
11838 - 11845	Behavior of the local reactivity descriptors during complexation: A case study of BXX' X'' NH3 (X, X', X'' = H, F) Tanwar A, Pal S
11846 - 11854	1 : 2 formic acid/acetylene complexes: Ab initio and matrix isolation studies of weakly interacting systems Sanchez-Garcia E, George L, Montero LA, Sander W
11855 - 11856	Comment on "qualitative characterization of the P-C bonds in ylides of phosphorus" Fulton RL