Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

2669 - 2678	Charge and Temperature Effects on Hydrated Tryptamine Cluster Ions Nicely AL, Lisy JM
2679 - 2691	Ab Initio Molecular Dynamics Study of H-2 Formation Inside POSS Compounds Kudo T, Taketsugu T, Gordon MS
2692 - 2701	CASSCF and CASPT2 Study on O- and Cl-Loss Predissociation Mechanisms of OClO (A (2)A(2)) Meng QY, Huang MB
2702 - 2707	Effect of pH on Methylene Blue Transient States and Kinetics and Bacteria Photoinactivation Chen J, Cesario TC, Rentzepis PM
2708 - 2718	Electronic States of F2CO as Studied by Electron Energy-Loss Spectroscopy and ab Initio Calculations Kato H, Nunes Y, Duflot D, Limao-Vieira P, Tanaka H
2719 - 2726	Experimental and Theoretical Studies of the Thermal Behavior of Titanium Dioxide-SnO2 Based Composites Yoga GP, Coelho MG, de Lima GM, Belchior JC
2727 - 2734	H Atom Attack on Propene Rosado-Reyes CM, Manion JA, Tsang W
2735 - 2744	S-Oxygenation of Thiocarbamides IV: Kinetics of Oxidation of Tetramethylthiourea by Aqueous Bromine and Acidic Bromate Ajibola RO, Simoyi RH
2745 - 2751	Isomer Population Analysis of Gaseous Ions From Infrared Multiple Photon Dissociation Kinetics Prell JS, Chang TM, Biles JA, Berden G, Oomens J, Williams ER
2752 - 2755	Raman Optical Activity Spectra and Conformational Elucidation of Chiral Drugs. The Case of the Antiangiogenic Aeroplysinin-1 Nieto-Ortega B, Casado J, Blanch EW, Navarrete JTL, Quesada AR, Ramirez FJ
2756 - 2764	Atmospheric Chemistry of Dichlorvos Aschmann SM, Tuazon EC, Long WD, Atkinson R
2765 - 2777	Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals Chen YK, Fleming DG, Wang YA
2778 - 2793	Isotope Effects and the Temperature Dependences of the Hyperfine Coupling Constants of Muoniated sec-Butyl Radicals in Condensed Phases Fleming DG, Bridges MD, Arseneau DJ, Chen YK, Wang YA
2794 - 2801	A Kinetic Energy Fitting Metric for Resolution of the Identity Second-Order Moller-Plesset Perturbation Theory Lambrecht DS, Brandhorst K, Miller WH, McCurdy CW, Head-Gordon M
2802 - 2810	An Electronic Structure Perspective of the Promoter Modes in Proton Transfer Reactions Saritha B, Prasad MD
2811 - 2829	Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights Alecu IM, Truhlar DG
2830 - 2836	Investigation of H-1 NMR Chemical Shifts of Organic Dye with Hydrogen Bonds and Ring Currents Park SS, Won YS, Lee W, Kim JH
2837 - 2846	Thermal Decomposition of 2-Butanol as a Potential Nonfossil Fuel: A Computational Study El-Nahas AM, Mangood AH, Takeuchi H, Taketsugu T
2847 - 2852	Endohedral Beryllium Atoms in Ten-Vertex Germanium Clusters: Effect of a Small Interstitial Atom on the Cluster Geometry King RB, Silaghi-Dumitrescu I, Uta MM
2853 - 2858	Influence of Hybridization and Cooperativity on the Properties of Au-Bonding Interaction: Comparison with Hydrogen Bonds Li QZ, Li H, Li R, Jing B, Liu ZB, Li WZ, Luan F, Cheng JB, Gong BA, Sun JZ
2859 - 2865	Comparison of Experimental and Computationally Predicted Sulfoxide Bond Dissociation Enthalpies Korang J, Grither WR, McCulla RD
2866 - 2876	Calculations on the Structure and Spectral Properties of Cytochrome c(551) Using DFT and ONIOM Methods Rajapandian V, Subramanian V
2877 - 2881	Reduction of CO2 on a Tricarbonyl Rhenium(I) Complex: Modeling a Catalytic Cycle Agarwal J, Johnson RP, Li GH
2882 - 2891	Pyrolysis Mechanisms of Thiophene and Methylthiophene in Asphaltenes Song XL, Parish CA
2892 - 2899	A New ab Initio Potential Energy Surface for Studying Vibrational Relaxation in NO(v) plus NO Collisions Pajon-Suarez P, Rubayo-Soneira J, Hernandez-Lamoneda R
2900 - 2912	Calculated Vertical Ionization Energies of the Common alpha-Amino Acids in the Gas Phase and in Solution Close DM