Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.34 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (48 articles)

6741 - 6748	Kinetics of Homoallylic/Homobenzylic Rearrangement Reactions under Combustion Conditions Wang ZH, Zhang LD, Zhang F
6749 - 6756	Periodic Changes in the Distribution of Species Observed in the Ni2+-Histidine Equilibrium Coupled to the BrO3--SO32- pH Oscillator Poros E, Kurin-Csorgei K, Szalai I, Horvath V, Orban M
6757 - 6762	Photoelectron Spectroscopy of CoC2H2- and Density Functional Study of ConC2H2 (n=1-3) Anion and Neutral Clusters Yuan JY, Hou GL, Yang BC, Xu HG, Zheng WJ
6763 - 6772	Effective Ion Mobility Calculations for Macromolecules by Scattering on Electron Clouds Alexeev Y, Fedorov DG, Shvartsburg AA
6773 - 6788	Analysis of the Kinetics and Yields of OH Radical Production from the CH3OCH2 + O-2 Reaction in the Temperature Range 195-650 K: An Experimental and Computational study Eskola AJ, Carr SA, Shannon RJ, Wang B, Blitz MA, Pilling MJ, Seakins PW, Robertson SH
6789 - 6797	Further Insight into the Reaction FeO+ + H-2 -> Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling Ard SG, Melko JJ, Martinez O, Ushakov VG, Li AY, Johnson RS, Shuman NS, Guo H, Troe J, Viggiano AA
6798 - 6809	Oxidation of Reduced Sulfur Species: Carbon Disulfide Glarborg P, Halaburt B, Marshall P, Guillory A, Troe J, Thellefsen M, Christensen K
6810 - 6818	Resonance Electron Attachment to Tetracyanoquinodimethane Pshenichnyuk SA, Modelli A, Lazneva EF, Komolov AS
6819 - 6826	Pinned Chemical Waves in the Presence of Stokes Flow Ke H, Zhang ZH, Steinbock O
6827 - 6831	Kinetics of the Initial Steps in the Aqueous Oxidation of Thiosulfate by Chlorine Dioxide Pan CW, Stanbury DM
6832 - 6837	Shock Tube Study on the Thermal Decomposition of Fluoroethane Using Infrared Laser Absorption Detection of Hydrogen Fluoride Matsugi A, Shiina H
6838 - 6845	Photoinduced Electron Transfer in Donor-Acceptor Complexes of Ethylene with Molecular and Atomic Iodine Kalume A, George L, Powell AD, Dawes R, Reid SA
6846 - 6857	Rotational and Vibrational Pattern Interpretation for High-Resolution Coherent 3D Spectroscopy Strangfeld BR, Wells TA, Chen PC
6858 - 6863	Identification of the Free Radical Produced in the Photolysis of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) Xiong Y, Liu J, Zhong FC, Xu T, Cheng KM
6864 - 6872	Pulsed Electron Paramagnetic Resonance Study of Domain Docking in Neuronal Nitric Oxide Synthase: The Calmodulin and Output State Perspective Astashkin AV, Chen L, Zhou XX, Li HY, Poulos TL, Liu KJ, Guillemette JG, Feng CJ
6873 - 6882	Electronic Structure and Spectroscopic Analysis of 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ion Pair Vyas S, Dreyer C, Slingsby J, Bicknase D, Porter JM, Maupin CM
6883 - 6892	Fluorescence Properties Reinforced by Proton Transfer in the Salt 2,6-Diaminopyridinium Dihydrogen Phosphate Mani R, Rietveld IB, Varadharajan K, Louhi-Kultanen M, Muthu S
6893 - 6899	Theoretical Study of the First Electronic State of the FCO2 Radical Uhlikova T, Urban S
6900 - 6907	HCl Dissociation in Methanol Clusters from Ab Initio Molecular Dynamics Simulations and Inner-Shell Photoelectron Spectroscopy Abu-Samha M, Borve KJ
6908 - 6913	Valence-Bound and Diffuse-Bound Anions of 5-Azauracil Corzo HH, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
6914 - 6921	Optical Properties of 4-Bromobenzaldehyde Derivatives in Chloroform Solution Climent C, Alemany P, Lee D, Kim J, Casanova D
6922 - 6934	Raman and Infrared Spectroscopy, DFT Calculations, and Vibrational Assignment of the Anticancer Agent Picoplatin: Performance of Long-Range Corrected/Hybrid Functionals for a Platinum(II) Complex Malik M, Wysokinski R, Zierkiewicz W, Helios K, Michalska D
6935 - 6939	Joint Photoelectron Imaging Spectroscopic and Theoretical Characterization on the Electronic Structures of the Anionic and Neutral ZrC2 Clusters Cheng SB, Castleman AW
6940 - 6949	Dynamic Role of the Intramolecular Hydrogen Bonding in Nonadiabatic Chemistry Revealed in the UV Photodissociation Reactions of 2-Fluorothiophenol and 2-Chlorothiophenol Han S, You HS, Kim SY, Kim SK
6950 - 6964	Aggregation Studies of Dipolar Coumarin-153 Dye in Polar Solvents: A Photophysical Study Verma P, Pal H
6965 - 6970	Low-Lying Electronic States of Cyclopentadienone Khuseynov D, Stanton JF, Sanov A
6971 - 6978	Microwave Spectrum and Conformational Composition of (Azidomethyl)cyclopropane (C3H5CH2N3) Mollendal H, Samdal S, Guillemin JC
6979 - 6984	Spectroscopic Tracking of Schiff Base Compounds' Hydrogen Bonding Reorganization Associated with Solid-to-Solid Phase Transition Hara S, Houjou H, Yoshikawa I, Sato H, Yamano A, Namatame Y, Mutai T, Araki K
6985 - 6990	Reverse Intersystem Crossing in Rhodamines by Near-Infrared Laser Excitation Marian CM, Etinski M, Rai-Constapel V
6991 - 6998	Irradiation of Water Ice by C+ Ions in the Cosmic Environment McBride EJ, Millar TJ, Kohanoff JJ
6999 - 7006	Heterogeneous Reaction of NO2 on alpha-Al2O3 in the Dark and Simulated Sunlight Guan C, Li XL, Luo YQ, Huang Z
7007 - 7016	Photodegradation of Pyrene on Al2O3 Surfaces: A Detailed Kinetic and Product Study Romanias MN, Andrade-Eiroa A, Shahla R, Bedjanian Y, Zogka AG, Philippidis A, Dagaut P
7017 - 7023	Effects of Water Molecules on Rearrangements of Formamide on the Kaolinite Basal (001) Surface Nguyen HT, Nguyen MT
7024 - 7033	Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid Dette HP, Qi MA, Schroder DC, Godt A, Koop T
7034 - 7043	Quartic Force Field Rovibrational Analysis of Protonated Acetylene, C2H3+, and Its Isotopologues Fortenberry RC, Huang XC, Crawford TD, Lee TJ
7044 - 7051	Ab Initio Study of Charge Transfer between Lithium and Aromatic Hydrocarbons. Can the Results Be Directly Transferred to the Lithium-Graphene Interaction? Sadlej-Sosnowska N
7052 - 7057	Density Functional Theory versus Complete Active Space Self-Consistent Field Investigation of the Half-Metallic Character of Graphite-Like and Amorphous Carbon Nanoparticles Khavryuchenko OV, Khavryuchenko VD, Peslherbe GH
7058 - 7065	N center dot center dot center dot I Halogen Bonding Interactions: Influence of Lewis Bases on Their Strength and Characters Han N, Zeng YL, Sun CH, Li XY, Sun Z, Meng LP
7066 - 7073	Structure and IR Vibrational Spectra of Na-8[AlSiO4](6)(BH4)(2): Comparison of Theory and Experiment Schneider AG, Bredow T, Schomborg L, Ruscher CH
7074 - 7084	Correlation of nu(OH) Spectral Shifts of Phenol-Benzene O-H center dot center dot center dot pi Hydrogen-Bonded Complexes with Donor's Acidity: A Combined Matrix Isolation, Infrared Spectroscopy, and Quantum Chemistry Study Banerjee P, Chakraborty T
7085 - 7095	Low Energy Conformations and Gas-Phase Acidity and Basicity of Pyrrolysine Meng LB, Wang Z, Zhang JC, Zhou MJ, Wu WD
7096 - 7103	Site-Selective Dissociation Processes of Cationic Ethanol Conformers: The Role of Hyperconjugation Li WX, Hu YJ, Liu FY, Shan XB, Sheng LS
7104 - 7117	Co-C Dissociation of Adenosylcobalamin (Coenzyme B-12): Role of Dispersion, Induction Effects, Solvent Polarity, and Relativistic and Thermal Corrections Kepp KP
7118 - 7129	Substituents and Environment Influences on Aromaticity of peri- and para-Substituted Naphthalenes Majerz I, Dziembowska T
7130 - 7138	Cation-pi Interactions in Protonated Phenylalkylamines Chiavarino B, Crestoni ME, Schutz M, Bouchet A, Piccirillo S, Steinmetz V, Dopfer O, Fornarini S
7139 - 7145	Calculation of Structural and Spectroscopic Parameters of trans-DONO and the NH3 center dot center dot center dot trans-DONO Complex. Comparison with Analogous Parameters of trans-HONO and NH3 center dot center dot center dot trans-HONO Bulychev VP, Buturlimova MV, Tokhadze IK, Tokhadze KG
7146 - 7158	Benchmark Study on Methanol C-H and O-H Bond Activation by Bare [(FeO)-O-IV](2+) Sun XH, Sun XL, Geng CY, Zhao HT, Li JL
7159 - 7166	Structure and Tunneling Splitting Spectra of Methyl Groups of Tetramethylpyrazine in Complexes with Chloranilic and Bromanilic Acids Piecha-Bisiorek A, Bator G, Sawka-Dobrowolska W, Sobczyk L, Rok M, Medycki W, Schneider GJ