Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.7 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

2315 - 2317	Electron paramagnetic resonance of three-spin nitroxide-copper(II)-nitroxide clusters coupled by a strong exchange interaction Fedin MV, Veber SL, Gromov IA, Ovcharenko VI, Sagdeev RZ, Schweiger A, Bagryanskaya EG
2318 - 2321	A priori resolution of the intermediate spectra in the bacteriorhodopsin photocycle: The time evolution of the L spectrum revealed Zimanyi L, Saltiel J, Brown LS, Lanyi JK
2322 - 2324	Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems Zhou Z, Liu R, Wang JH, Li SW, Liu ML, Bredas JL
2325 - 2330	IR spectroscopy of M+(acetone) complexes (M = Mg, Al, Ca): Cation-carbonyl binding interactions Velasquez J, Pillai ED, Carnegie PD, Duncan MA
2331 - 2336	Cholesteric polymer guest-host mixture with circularly polarized fluorescence: Two ways for phototuning of polarization and its intensity Bobrovsky A, Shibaev V, Stumpe J
2337 - 2344	Site and isotopic effects on the angular anisotropy of products in the photodissociation of ethene at 157 nm Lee SH, Lee YC, Lee YT
2345 - 2352	Influence of subdiffusive motion on spin relaxation and spin effects in radical pairs Shushin AI
2353 - 2359	Excited-state structural dynamics of cytosine from resonance Raman spectroscopy Billinghurst BE, Loppnow GR
2360 - 2370	Importance of entropy in the conformational equilibrium of phenylalanine: A matrix-isolation infrared spectroscopy and density functional theory study Kaczor A, Reva ID, Proniewicz LM, Fausto R
2371 - 2377	Photochemical synthesis of the cyanodiacetylene HC5N: A cryogenic matrix experiment Coupeaud A, Kolos R, Couturier-Tamburelli I, Aycard JP, Pietri N
2378 - 2386	Experimental and computational study of small (n=1-16) stoichiometric zinc and cadmium chalcogenide clusters Sanville E, Burnin A, BelBruno JJ
2387 - 2395	The uptake of methyl vinyl ketone, methacrolein, and 2-methyl-3-butene-2-ol onto sulfuric acid solutions Noziere B, Voisin D, Longfellow CA, Friedli H, Henry BE, Hanson DR
2396 - 2410	Oxyhalogen-sulfur chemistry: Kinetics and mechanism of oxidation of N-acetylthiourea by chlorite and chlorine dioxide Olagunju O, Siegel PA, Olojo R, Simoyi RH
2411 - 2420	A combined density functional theory and coupled cluster method investigation of the structural properties and stabilities of radical CH2CP and its isomers Yu HT, Li MX, Han KL
2421 - 2433	Potential energy surface and product branching ratios for the reaction of dicarbon, C-2(X-1 Sigma(+)(g)), with methylacetylene, CH3CCH(X(1)A(1)): An ab initio/RRKM study Mebel AM, Kislov VV, Kaiser RI
2434 - 2439	Excitation spectra of dibenzoborole containing pi-electron systems: Controlling the electronic spectra by changing the p(pi)-pi conjugation Thanthiriwatte KS, Gwaltney SR
2440 - 2447	Density functional theoretical study on enantiomerization of 2,2'-biphenol Sahnoun R, Koseki S, Fujimura Y
2448 - 2454	Does the decomposition of peroxydicarbonates and diacyl peroxides proceed in a stepwise or concerted pathway? Gu ZH, Wang YX, Balbuena PB
2455 - 2460	Reactivity of isobutane on zeolites: A first principles study Zheng XB, Blowers P
2461 - 2473	Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules Autschbach J, Jensen L, Schatz GC, Tse YCE, Krykunov M
2474 - 2485	Random sampling-high dimensional model representation (RS-HDMR) and orthogonality of its different order component functions Li GY, Hu JS, Wang SW, Georgopoulos PG, Schoendorf J, Rabitz H
2486 - 2492	Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerization Izgorodina EI, Coote ML
2493 - 2499	Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants Kelly CP, Cramer CJ, Truhlar DG
2500 - 2504	Unusual pi-donating effects of pi-accepting substituents on the stabilities of benzylic cations: A theoretical study Kim CK, Han IS, Ryu WS, Lee HW, Lee BS, Kim CK
2505 - 2509	Lewis-based valence bond scheme: Application to the allyl cation Linares M, Braida B, Humbel S
2510 - 2516	Photoluminescence of europium(III) dithiocarbamate complexes: Electronic structure, charge transfer and energy transfer Faustino WM, Malta OL, Teotonio EES, Brito HF, Simas AM, de Sa GF
2517 - 2526	Ortho effect in the Bergman cyclization: Electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5,8-diradicals Pickard FC, Shepherd RL, Gillis AE, Dunn ME, Feldgus S, Kirschner KN, Shields GC, Manoharan M, Alabugin IV
2527 - 2534	Theoretical mechanistic study on the radical-radical reaction of ketenyl with nitrogen dioxide Zhang JX, Li ZS, Liu JY, Sun CC
2535 - 2544	Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds Infantes L, Mo O, Yanez M, Roux MV, Jimenez P, Divalos JZ, Temprado M, da Silva MAVR, da Silva MDMCR, Amaral LMPF, Cabildo P, Claramunt R, Elguero J
2545 - 2559	Photo processes on self-associated cationic porphyrins and plastocyanin complexes 1. Ligation of plastocyanin tyrosine 83 onto metalloporphyrins and electron-transfer fluorescence quenching Anula HM, Myshkin E, Guliaev A, Luman C, Danilov EO, Castellano FN, Bullerjahn GS, Rodgers MAJ
2560 - 2570	Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7 Koseki S, Matsushita T, Gordon MS
2571 - 2578	Calculation of the energetics for the oligomerization of gas phase HgO and HgS and for the solvolysis of crystalline HgO and HgS Tossell JA