Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.117, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

4515 - 4525	Theoretical and Kinetic Study of the Reactions of Ketones with H(O)over dot(2) Radicals. Part I: Abstraction Reaction Channels Mendes J, Zhou CW, Curran HJ
4526 - 4533	Theoretical and Kinetic Study of the Reaction of Ethyl Methyl Ketone with H(O)over dot(2) for T=600-1600 K. Part II: Addition Reaction Channels Zhou CW, Mendes J, Curran HJ
4534 - 4544	Theoretical Investigations on the Kinetics of H-Abstraction Reactions from CF3CH(OH)CF3 by OH Radicals Srinivasulu G, Rajakumar B
4545 - 4550	Nonlinear Dynamical Behavior in the Photodecomposition of N-Bromo-1,4-Benzoquinone-4-Imine Bell JG, Green JR, Wang JC
4551 - 4555	The Photochemistry of 4,5-Carbomethoxy-1,2,3-thiadiazole: Direct Observation of Thiirene Formation and Its Decay in Solution Burdzinski G, Luk HL, Reid CS, Zhang YL, Hadad CM, Platz MS
4556 - 4563	From Iron Pentacarbonyl to the Iron Ion by Imaging Photoelectron Photoion Coincidence Russell EM, Cudjoe E, Mastromatteo ME, Kercher JP, Sztaray B, Bodi A
4564 - 4573	Dynamics of Charge Separation from Second Excited State and Following Charge Recombination in Zinc-Porphyrin-Acceptor Dyads Rogozina MV, Ionkin VN, Ivanov AI
4574 - 4583	Photodynamics of Schiff Base Salicylideneaniline: Trajectory Surface-Hopping Simulations Sporkel L, Cui GL, Thiel W
4584 - 4590	Analysis of the SERS Spectrum by Theoretical Methodology: Evaluating a Classical Dipole Model and the Detuning of the Excitation Frequency Hermida-Ramon JM, Guerrini L, Alvarez-Puebla RA
4591 - 4601	Solvent-Induced Luminescence Quenching: Static and Time-Resolved X-Ray Absorption Spectroscopy of a Copper(I) Phenanthroline Complex Penfold TJ, Karlsson S, Capano G, Lima FA, Rittmann J, Reinhard M, Rittmann-Frank MH, Braem O, Baranoff E, Abela R, Tavernelli I, Rothlisberger U, Milne CJ, Chergui M
4602 - 4610	Molecular Dynamics Study of Water Transfer at Supercooled Sulfuric Acid Solution Surface Covered with Butanol Sakaguchi S, Morita A
4611 - 4626	Mechanism and Kinetics of the Atmospheric Oxidative Degradation of Dimethylphenol Isomers Initiated by OH Radical Sandhiya L, Kolandaivel P, Senthilkumar K
4627 - 4635	Carbonate-Mediated Fe(II) Oxidation in the Air-Cathode Fuel Cell: A Kinetic Model in Terms of Fe(II) Speciation Song W, Zhai LF, Cui YZ, Sun M, Jiang Y
4636 - 4656	Gas-Phase Rate Coefficients for the OH plus n-, i-, s-, and t-Butanol Reactions Measured Between 220 and 380 K: Non-Arrhenius Behavior and Site-Specific Reactivity McGillen MR, Baasandorj M, Burkholder JB
4657 - 4663	Comprehensive Computational Study of Decamethyldizincocene Formation. 1. Reaction of ZnR2 Reagents with Decamethylzincocene Hepperle SS, Wang YA
4664 - 4668	Ab Initio/GIAO-CCSD(T) Calculated C-13-B-11 NMR Chemical Shift Relationships in Isoelectronic Hypercoordinate Carbonium and Boronium As Well As Carbenium and Borenium Ions Rasul G, Prakash GKS, Olah GA
4669 - 4678	Effect of van der Waals Interaction on the Geometric and Electronic Properties of DNA Nucleosides Adsorbed on Cu(111) Surface: A DFT Study Bogdan D, Morari C
4679 - 4687	Aromaticity of Closed-Shell Charged Polybenzenoid Hydrocarbons Ramos-Berdullas N, Radenkovic S, Bultinck P, Mandado M
4688 - 4697	Analytical Study of Superaromaticity in Cycloarenes and Related Coronoid Hydrocarbons Aihara J, Makino M, Ishida T, Dias JR
4698 - 4708	Beyond the Born-Oppenheimer Approximation: A Treatment of Electronic Flux Density in Electronically Adiabatic Molecular Processes Diestler DJ
4709 - 4715	Challenging Compounds for Calculating Hyperpolarizabilities: p-Quinodimethane Derivatives de Wergifosse M, Wautelet F, Champagne B, Kishi R, Fukuda K, Matsui H, Nakano M
4716 - 4725	Valence-Bond Determination of Diradical Character of Polycyclic Aromatic Hydrocarbons: From Acenes to Rectangular Benzenoids Dias JR
4726 - 4730	Evaluation of the Heats of Formation of Corannulene and C-60 by Means of Inexpensive Theoretical Procedures Dobek FJ, Ranasinghe DS, Throssell K, Petersson GA
4731 - 4731	Driving Force Dependence of Charge Recombination in Reactive and Nonreactive Solvents (vol 116, pg 9473, 2012) Rosspeintner A, Angulo G, Vauthey E