Journal of Physical Chemistry A, 2003, V. 107, No. 32, 14 August.


ARTICLES

DYNAMICS AND RELAXATION
Dissociation of Methane in Intense Laser Fields Sufan Wang, Xiaoping Tang, Lirong Gao, Mohamed E. Elshakre, and Fanao Kong pp 6123 - 6129;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Infrared Laser Desorption of Hydroquinone from a Water-Ethanol Liquid Beam Dale E. Otten, Adam J. Trevitt, Benjamin D. Nichols, Gregory F. Metha, and Mark A. Buntine pp 6130 - 6135; Infrared Spectra and Structures of the Valyl-Alanine and Alanyl-Valine Zwitterions Isolated in a KBr Matrix Rebecca Jacob and Gad Fischer pp 6136 - 6143; Inner-Shell Excitation Spectroscopy of the Peptide Bond: Comparison of the C 1s, N 1s, and O 1s Spectra of Glycine, Glycyl-Glycine, and Glycyl-Glycyl-Glycine Michelle L. Gordon, Glyn Cooper, Cynthia Morin, Tohru Araki, Cassia C. Turci, Konstantin Kaznatcheev, and Adam P. Hitchcock pp 6144 - 6159; Experimental and Theoretical Study of the Secondary Equilibrium Isotope Effect (SEIE) in the Proton Transfer between the Pyridinium-d5 Cation and Pyridine C. Munoz-Caro, A. Nino, J. Z. Davalos, E. Quintanilla, and J. L. Abboud pp 6160 - 6167; On the Electronic and Atomic Structures of Small AuN- (N = 4-14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study Hannu Hakkinen, Bokwon Yoon, Uzi Landman, Xi Li, Hua-Jin Zhai, and Lai-Sheng Wang pp 6168 - 6175;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Reaction of Criegee Intermediates with Water Vapor-An Additional Source of OH Radicals in Alkene Ozonolysis? Alam S. Hasson, Myeong Y. Chung, Keith T. Kuwata, Amber D. Converse, Debra Krohn, and Suzanne E. Paulson pp 6176 - 6182; Gas-Phase Hydrolysis of SOCl2 at 297 and 309 K: Implications for Its Atmospheric Fate Timothy J. Johnson, Robert S. Disselkamp, Yin-Fong Su, Robert J. Fellows, Michael L. Alexander, and Crystal J. Driver pp 6183 - 6190; Method for Measuring Carbon Kinetic Isotope Effects of Gas-Phase Reactions of Light Hydrocarbons with the Hydroxyl Radical Rebecca S. Anderson, Eva Czuba, Darrell Ernst, Lin Huang, Alexandra E. Thompson, and Jochen Rudolph pp 6191 - 6199; Hydroxycarbonyl Products of the Reactions of Selected Diols with the OH Radical Heidi L. Bethel, Roger Atkinson, and Janet Arey pp 6200 - 6205; Temperature and Molecular Size Dependence of the High-Pressure Limit Bryan M. Wong, David M. Matheu, and William H. Green, Jr. pp 6206 - 6211; Surface Studies of Chromate Binding to Fused Quartz/Water Interfaces Amanda L. Mifflin, Katie A. Gerth, Brian M. Weiss, and Franz M. Geiger pp 6212 - 6217; Charge Transfer Kinetics in Fullerene-Oligomer-Fullerene Triads Containing Alkylpyrrole Units Edwin H. A. Beckers, Paul A. van Hal, Anantharaman Dhanabalan, Stefan C. J. Meskers, Joop Knol, J. C. Hummelen, and Rene A. J. Janssen pp 6218 - 6224;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Topological Study of the Effect of the Isomorphic Substitution of Silicon by Aluminum on the Zeolite Structure and Its Interaction with Methane N. B. Okulik, R. Pis Diez, and A. H. Jubert pp 6225 - 6230; Direct ab Initio Dynamics Study on the Hydrogen ion Reaction of CH3CCl3 + OH CH2CCl3 + H2O Jing-yao Liu, Ze-sheng Li, Zhen-wen Dai, Xu-ri Huang, and Chia-chung Sun pp 6231 - 6235; G2(MP2) Characterization of Conformational Preferences in 2-Substituted Ethanols (XCH2CH2OH) and Related Systems Carl Trindle, Pamela Crum, and Kevin Douglass pp 6236 - 6242; Structural Properties of 1-Octanol/n-Octane Mixtures Studied by Brillouin Scattering Paola Sassi, Agnese Marcelli, Marco Paolantoni, Assunta Morresi, and Rosario Sergio Cataliotti pp 6243 - 6248; Basis Set and Electron Correlation Effects on ab Initio Calculations of Cation-/H-Bond Stair Motifs Rene Wintjens, Christophe Biot, Marianne Rooman, and Jacky Lievin pp 6249 - 6258; An ab Initio Study of the Silicon-Oxygen-Sulfur Oligomers (SiOS)n (n 6) Thomas Kruger pp 6259 - 6263; Conformational Behavior and Magnetic Properties of a Nitroxide Amino Acid Derivative in Vacuo and in Aqueous Solution Maddalena D'Amore, Roberto Improta, and Vincenzo Barone pp 6264 - 6269; Entropy Displacement and Information Distance Analysis of Electron Distributions in Molecules and Their Hirshfeld Atoms Roman F. Nalewajski and Elbieta Broniatowska pp 6270 - 6280; Fluorine Hyperfine Splittings in the Electron Spin Resonance (ESR) Spectra of Aromatic Radicals. An Experimental and Theoretical Investigation Anton R. Rakitin, David Yff, and Charles Trapp pp 6281 - 6292; Experimental and Theoretical Studies of Acid-Base Equilibria of Substituted 4-Nitropyridine N-Oxides Joanna Berdys, Mariusz Makowski, Monika Makowska, Aniela Puszko, and Lech Chmurzyski pp 6293 - 6300; Strong Experimental Evidence of C-H···O Hydrogen Bonds in Cyclopentanone: The Splitting of the (C=O) Mode Revisited Pedro D. Vaz and Paulo J. A. Ribeiro-Claro pp 6301 - 6305; Ab Initio Study of the Interaction Hyperpolarizabilities of HCN-HF and HNC-HF Complexes Ru-Jiao Li, Zhi-Ru Li, Di Wu, Xi-Yun Hao, Bing-Qiang Wang, and Chia-Chung Sun pp 6306 - 6310; Naphthalenyl, Anthracenyl, Tetracenyl, and Pentacenyl Radicals and Their Anions Brian N. Papas, Suyun Wang, Nathan J. DeYonker, Henry L. Woodcock, and Henry F. Schaefer, III pp 6311 - 6316; Theoretical Study of Small MgCn, MgCn+, and MgCn- Cyclic Clusters Pilar Redondo, Carmen Barrientos, Alvaro Cimas, and Antonio Largo pp 6317 - 6325;
GENERAL PHYSICAL CHEMISTRY
Phosphorus(V) Porphyrin-Azoarene Conjugates: Synthesis, Spectroscopy, cis-trans Isomerization, and Photoswitching Function D. Raghunath Reddy and Bhaskar G. Maiya pp 6326 - 6333; Evidence of Ground-State Proton-Transfer Reaction of 3-Hydroxyflavone in Neutral Alcoholic Solvents Prasun K. Mandal and Anunay Samanta pp 6334 - 6339;