Journal of Physical Chemistry A, 2003, V 107, N 43, October 30.


ARTICLES

DYNAMICS AND RELAXATION
Kinetic Model for Determination of Reaction and Polarization Dynamics from Chemically Induced Electron Spin Polarized Electron Spin Resonance Spectra Frank J. Adrian pp 9045 - 9050; Vibrational Mode Coupling to Ultrafast Electron Transfer in [(CN)5OsCNRu(NH3)5]- Studied by Femtosecond Infrared Spectroscopy Alexei V. Tivanski, Chengfei Wang, and Gilbert C. Walker pp 9051 - 9058; Semiclassical Theory of Vibrational Energy Relaxation in the Condensed Phase Qiang Shi and Eitan Geva pp 9059 - 9069; Vibrational Energy Relaxation in Liquid Oxygen from a Semiclassical Molecular Dynamics Simulation Qiang Shi and Eitan Geva pp 9070 - 9078; Photochemical Isomerization of Colchicine and Thiocolchicine Laura Bussotti, Ivo Cacelli, Maurizio D'Auria, Paolo Foggi, Giordano Lesma, Alessandra Silvani, and Vincenzo Villani pp 9079 - 9085; Electron Paramagnetic Resonance Line Shifts and Line Shape Changes Due to Spin Exchange between Nitroxide Free Radicals in Liquids. 3. Extension to Five Hyperfine Lines. Additional Line Shifts Due to Re-encounters Barney L. Bales, Miroslav Peric, and Ileana Dragutan pp 9086 - 9098; Solvation of Yttrium with Ammonia: An Experimental and Theoretical Study Benoit Simard, David M. Rayner, Emmanuel Benichou, Norma Mireles, Francisco J. Tenorio, and Ana Martinez pp 9099 - 9104;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Absolute Resonance Raman Intensity Analysis of Isopropyl Nitrate in the Condensed Phase Ryan P. McLaughlin, Bethany P. Nyholm, and Philip J. Reid pp 9105 - 9112; Multidimensional Infrared Signatures of Intramolecular Hydrogen Bonding in Malonaldehyde Tomoyuki Hayashi and Shaul Mukamel pp 9113 - 9131;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Wide-Temperature-Range Kinetics of the Reactions of Cu with Cl2 and N2O and of CuCl with Cl2 Biljana Cosic, David P. Belyung, Jasmina Hranisavljevic, and Arthur Fontijn pp 9132 - 9136; Determination of the Rate Constant for the Radical-Radical Reaction CN(X2+) + OH(X2) at 292 K Brian K. Decker and R. Glen Macdonald pp 9137 - 9146;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Ab Initio Calculations for Hydrocarbons: Enthalpy of Formation, Transition State Geometry, and Activation Energy for Radical Reactions Mark Saeys, Marie-Francoise Reyniers, Guy B. Marin, Veronique Van Speybroeck, and Michel Waroquier pp 9147 - 9159; Manifestations of Symmetry Breaking in Self-consistent Field Electronic Structure Calculations Barry D. Dunietz and Martin Head-Gordon pp 9160 - 9167; Ab Initio Characterization of ClNO3 Isomers Antonija Lesar, Saa Prebil, and Milan Hodoek pp 9168 - 9174; Quantifying the Role of Water in Protein-Carbohydrate Interactions Sarah M. Tschampel and Robert J. Woods pp 9175 - 9181; The S-H Bond Dissociation Enthalpies and Acidities of Para and Meta Substituted Thiophenols: A Quantum Chemical Study Asit K. Chandra, Pham-Cam Nam, and Minh Tho Nguyen pp 9182 - 9188; Gas-Phase Reactions between Silane and Ammonia: A Theoretical Study Shao-Wen Hu, Yi Wang, Xiang-Yun Wang, Ti-Wei Chu, and Xin-Qi Liu pp 9189 - 9196; Solvent Effects on the Energetics of the Phenol O-H Bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and Acetonitrile R. C. Guedes, Kaline Coutinho, B. J. Costa Cabral, Sylvio Canuto, C. F. Correia, R. M. Borges dos Santos, and J. A. Martinho Simoes pp 9197 - 9207; Conformational Analysis of Glutathione in Aqueous Solution with Molecular Dynamics Outi Lampela, Andre H. Juffer, and Arvi Rauk pp 9208 - 9220; Hydrogen Atom Addition to Cytosine, 1-Methylcytosine, and Cytosine-Water Complexes. A Computational Study of a Mechanistic Dichotomy Frantiek Tureek and Chunxiang Yao pp 9221 - 9231; Bifurcated Hydrogen Bonds in Crystal Structures of New Phosphorochromone Derivatives Agnieszka J. Rybarczyk-Pirek, Sawomir J. Grabowski, and Jolanta Nawrot-Modranka pp 9232 - 9239;
GENERAL PHYSICAL CHEMISTRY
Radical Yields in the Radiolysis of Branched Hydrocarbons: Tertiary C-H Bond Rupture in 2,3-Dimethylbutane, 2,4-Dimethylpentane, and 3-Ethylpentane Robert H. Schuler and Laszlo Wojnarovits pp 9240 - 9247;
COMMENTS

Comment on "Kinetics of a Diels-Alder Reaction of Maleic Anhydride and Isoprene in Supercritical CO2" G. C. Alexander and M. E. Paulaitis pp 9248 - 9248; Reply to Comment on "Kinetics of a Diels-Alder Reaction of Maleic Anhydride and Isoprene in Supercritical CO2" Evgeni M. Glebov, Larisa G. Krishtopa, Victor Stepanov, and Lev N. Krasnoperov pp 9249 - 9249; Comment on "Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies" Hans-Jorg Schneider pp 9250 - 9250; Reply to Comment on "Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies" Oleg Lukin and Jerzy Leszczynski pp 9251 - 9252;