Journal of Physical Chemistry, 2002, V 106, N 32, August 15.


 
ARTICLES

DYNAMICS AND RELAXATION
Reactions of the Dihydroxylamine (HNO2-) and Hydronitrite (NO22-) Radical Ions Sergei V. Lymar, Harold A. Schwarz, and Gidon Czapski pp 7245 - 7250; Ionic Transport, Reaction Kinetics, and Gel Formation. A Low-Field Overhauser Magnetic Resonance Imaging Study Wilson Barros, Jr. and M. Engelsberg pp 7251 - 7255; The Dynamics of Preferential Solvation Noam Agmon pp 7256 - 7260;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Interaction between Aromatic Amine Cations and Quadrupolar Ligands: Infrared Spectra of Aniline+-(N2)n (n = 1-5) Complexes Nicola Solc? and Otto Dopfer pp 7261 - 7270; Temporary Anions and Empty Level Structure in Cyclobutanediones: Through-Space and Through-Bond Interactions Alberto Modelli and Hans-Dieter Martin pp 7271 - 7275;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Detailed Kinetics and Thermochemistry of C2H5 + O2: Reaction Kinetics of the Chemically-Activated and Stabilized CH3CH2OO Adduct Chad Y. Sheng, Joseph W. Bozzelli, Anthony M. Dean, and Albert Y. Chang pp 7276 - 7293; Theoretical Study of the CH3NO2 Unimolecular Decomposition Potential Energy Surface Wen-Fang Hu, Tian-Jing He, Dong-Ming Chen, and Fan-Chen Liu pp 7294 - 7303; Kinetics of Methane Hydrate Formation from Polycrystalline Deuterated Ice Xiaoping Wang, Arthur J. Schultz, and Yuval Halpern pp 7304 - 7309; Reactions of Gaseous Mercury with Atomic and Molecular Halogens: Kinetics, Product Studies, and Atmospheric Implications Parisa A. Ariya, Alexei Khalizov, and Alexios Gidas pp 7310 - 7320;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Conformation of the Dipeptide Cyclo(-Pro--Pro) Monitored by the Nuclear Magnetic Resonance and Raman Optical Activity Spectra. Experimental and ab Initio Computational Study Petr Bou, Vladim?r Sychrovsk, Petr Malo, Jana Hanzl?kov?, Vladim?r Baumruk, Jan Posp?ek, and Milo Bud?nsk pp 7321 - 7327; Metal Cation Binding to Phenol: DFT Comparison of the Competing Sites Robert C. Dunbar pp 7328 - 7337; Mechanism of Acetylene-Vinylidene Rearrangement with Na, Al, and Y Atoms Eric D. Glendening and Matthew L. Strange pp 7338 - 7347; Ab Initio Structures and Stabilities of Doubly Charged Diatomic Metal Helides for the First Row Transition Metals David J. D. Wilson, Colin J. Marsden, and Ellak I. von Nagy-Felsobuki pp 7348 - 7354; Theoretical Study of the Lowest 1BU States of trans-Stilbene Laura Gagliardi, Giorgio Orlandi, Vicent Molina, Per-?ke Malmqvist, and Bj?rn Roos pp 7355 - 7361; Ab Initio Calculations and Modeling of Three-Dimensional Adiabatic and Diabatic Potential Energy Surfaces of Br(2P)···H2(1+) Pre-Reactive Complex Jacek Kos, Grzegorz Chaasiski, and M. M. Szczniak pp 7362 - 7368; Proton Spin-Spin Coupling and Electron Delocalization Ch?rif F. Matta, Jes?s Hern?ndez-Trujillo, and Richard F. W. Bader pp 7369 - 7375; Nuclear Spin Relaxation in Paramagnetic Systems: Electron Spin Relaxation Effects under Near-Redfield Limit Conditions and Beyond Jozef Kowalewski, Claudio Luchinat, Tomas Nilsson, and Giacomo Parigi pp 7376 - 7382; Gas-Phase Basicity of 2,7-Dimethyl-[1,2,4]-Triazepine Thio Derivatives M. Lamsabhi, M. Esseffar, W. Bouab, T. El Messaoudi, M. El Messaoudi, J. L.-M. Abboud, M. Alcam?, and M. Y??ez pp 7383 - 7389; An ab Initio and Density Functional Study of Al3As, Al3As-, AlAs3, and AlAs3- Edet F. Archibong and Alain St-Amant pp 7390 - 7398; Ground- and Excited-State Electronic Structures of the Solar Cell Sensitizer Bis(4,4'-dicarboxylato-2,2'-bipyridine)bis(isothiocyanato)ruthenium(II) Jeremy E. Monat, Jorge H. Rodriguez, and James K. McCusker pp 7399 - 7406; Computing Redox Potentials in Solution: Density Functional Theory as A Tool for Rational Design of Redox Agents Mu-Hyun Baik and Richard A. Friesner pp 7407 - 7412; Computation of pKa from Dielectric Continuum Theory Daniel M. Chipman pp 7413 - 7422; Computational Study of Hydrogen-Bonded Complexes between the Most Stable Tautomers of Glycine and Uracil Iwona Dbkowska, Janusz Rak, and Maciej Gutowski pp 7423 - 7433; Theoretical Calculation of pKa Using the Cluster-Continuum Model Josefredo R. Pliego, Jr. and Jos? M. Riveros pp 7434 - 7439; Methanethiol Dimer and Trimer. An ab Initio and DFT Study of the Interaction Enrique M. Cabaleiro-Lago and Jes?s Rodr?guez-Otero pp 7440 - 7447; Gauge-Origin Independent Density-Functional Theory Calculations of Vibrational Raman Optical Activity Kenneth Ruud, Trygve Helgaker, and Petr Bou pp 7448 - 7455; Model Molecular Magnets Ernest R. Davidson and Aurora E. Clark pp 7456 - 7461;
GENERAL PHYSICAL CHEMISTRY
Proton Transfer from Photoacid to Solvent Boiko Cohen, Jonathan Segal, and Dan Huppert pp 7462 - 7467;