Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

9791 - 9801	Advances in Understanding of Chemical Bonding: Inputs from Experimental and Theoretical Charge Density Analysis Chopra D
9802 - 9810	Analysis of State-Specific Vibrations Coupled to the Unidirectional Energy Transfer in Conjugated Dendrimers Soler MA, Roitberg AE, Neson T, Tretiak S, Fernandez-Alberti S
9811 - 9818	ReaxFF Molecular Dynamics Simulations of Oxidation of Toluene at High Temperatures Cheng XM, Wang QD, Li JQ, Wang JB, Li XY
9819 - 9824	Reaction Kinetics and Efficiencies for the Hydroxyl and Sulfate Radical Based Oxidation of Artificial Sweeteners in Water Toth JE, Rickman KA, Venter AR, Kiddle JJ, Mezyk SP
9825 - 9831	Shock Tube Study on the Thermal Decomposition of n-Butanol Rosado-Reyes CM, Tsang W
9832 - 9842	Rate Coefficients and Reaction Mechanism for the Reaction of OH Radicals with (E)-CF3CH=CHF, (Z)-CF3CH=CHF, (E)-CF3CF=CHF, and (Z)-CF3CF=CHF between 200 and 400 K: Hybrid Density Functional Theory and Canonical Variational Transition State Theory Calculations Balaganesh M, Raiakumar B
9843 - 9853	Electronic Spectra of Structurally Deformed Lutein Macernis M, Sulskus J, Duffy CDP, Ruban AV, Valkunas L
9854 - 9862	Lattice Dynamics through the Structural Phase Transition in D-Amphetamine Sulfate Olejniczak I, Pogorzelec-Glaser K
9863 - 9871	Photochemical Isomerizations of Thiosemicarbazide, a Matrix Isolation Study Rostkowska H, Lapinski L, Kozankiewicz B, Nowak MJ
9872 - 9877	Mechanoanions Produced by Mechanical Fracture of Bacterial Cellulose: Ionic Nature of Glycosidic Linkage and Electrostatic Charging Sakaguchi M, Makino M, Ohura T, Iwata T
9878 - 9887	Guest-Host Interactions Investigated by Time-Resolved X-ray Spectroscopies and Scattering at MHz Rates: Solvation Dynamics and Photoinduced Spin Transition in Aqueous Fe(bipy)(3)(2+) Haldrup K, Vanko G, Gawelda W, Galler A, Doumy G, March AM, Kanter EP, Bordage A, Dohn A, van Driel TB, Kjaer KS, Lemke HT, Canton SE, Uhlig J, Sundstrom V, Young L, Southworth SH, Nielsen MM, Bressler C
9888 - 9896	Excited State Tautomerization of 7-Azaindole in a 1:1 Complex with delta-Valerolactam: A Comparative Study with the Homodimer Mukherjee M, Karmakar S, Chakraborty T
9897 - 9899	Surface Effects on the Crystallization of Cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the Consequences for its N K X-ray Emission Spectrum Goldberg IG, Vila FD, Jach T
9900 - 9903	Photoconversion of a Protonated Diarylethene Derivative Liu HH, Zhang X, Gao Z, Chen Y
9904 - 9910	Mechanism of Photo-Oxidation of Heptafluorobutyric Anhydride in the Presence of NO2 center dot Synthesis and Characterization of Heptafluoropropyl Peroxynitrate, CF3CF2CF2OONO2 Bossolasco AG, Malanca PE, Paci MAB, Arguello GA
9911 - 9918	Experimental and Theoretical Study on the Photophysical Properties of 90 degrees and 60 degrees Bimetallic Platinum Complexes Chen JS, Zhao GJ, Cook TR, Sun XF, Yang SQ, Zhang MX, Han KL, Stang PJ
9919 - 9927	Stable Radical Trianions from Reversibly Formed Sigma-Dimers of Selenadiazoloquinolones Studied by In Situ EPR/UV-vis Spectroelectrochemistry and Quantum Chemical Calculations Stasko A, Luspai K, Barbierikova Z, Rimarcik J, Vaganek A, Lukes V, Bella M, Milata V, Zalibera M, Rapta P, Brezova V
9928 - 9933	Fluorescence Photoactivation by Intermolecular Proton Transfer Swaminathan S, Petriella M, Deniz E, Cusido J, Baker JD, Bossi ML, Raymo FM
9934 - 9940	Generating Function Approach to the Calculation of Spectral Band Shapes of Free-Base Chlorin Including Duschinsky and Herzberg-Teller Effects Borrelli R, Capobianco A, Peluso A
9941 - 9953	Accounting for Changes in Particle Charge, Dry Mass and Composition Occurring During Studies of Single Levitated Particles Haddrell AE, Davies JF, Yabushita A, Reid JP
9954 - 9968	Measurements of Thermodynamic and Optical Properties of Selected Aqueous Organic and Organic-Inorganic Mixtures of Atmospheric Relevance Lienhard DM, Bones DL, Zuend A, Krieger UK, Reid JP, Peter T
9969 - 9978	Empirical Correction of Nondynamical Correlation Energy for Density Functionals Jiang WY, Jeffrey CC, Wilson AK
9979 - 9984	Superacid-Promoted Ionization of Alkanes Without Carbonium Ion Formation: A Density Functional Theory Study Diner P
9985 - 9995	Theoretical Study of Structure, Stability, and the Hydrolysis Reactions of Small Iridium Oxide Nanoclusters Zhou X, Yang JX, Li C
9996 - 10003	Vacuum-Ultraviolet Electronic Circular Dichroism Study of Methyl alpha-D-Glucopyranoside in Aqueous Solution by Time-Dependent Density Functional Theory Matsuo K, Namatame H, Taniguchi M, Gekko K
10004 - 10014	Fourier Transform Infrared and Raman and Surface-Enhanced Raman Spectroscopy Studies of a Novel Group of Boron Analogues of Aminophosphonic Acids Piergies N, Proniewicz E, Kudelski A, Rydzewska A, Kim Y, Andrzejak M, Proniewicz LM
10015 - 10026	Insights into the Mechanism of an S(N)2 Reaction from the Reaction Force and the Reaction Electronic Flux Giri S, Echegaray E, Ayers PW, Nunez AS, Lund F, Toro-Labbe A
10027 - 10036	Lithium Amide (LiNH2) Under Pressure Prasad DLVK, Ashcroft NW, Hoffmann R
10037 - 10037	Dynamics and Thermodynamics of Crystalline Polymorphs: alpha-Glycine, Analysis of Variable-Temperature Atomic Displacement Parameters (vol 116, pg 8092, 2012) Aree T, Burgi HB, Capelli SC