The Journal of Physical Chemistry A, 1999, V 103, N 32, 12 August.


LETTERS

6283-6287 A Structural Basis for Long-Range Coupling in Azurins from Resonance Raman Spectroscopy M. Adam Webb and Glen R. Loppnow


ARTICLES

DYNAMICS AND RELAXATION

6288-6294 Matrix Effect on Hydrogen Atom Tunneling from Alkane to Free Deuterium Atoms in Cryogenic Solid Tsuneki Ichikawa, Koh-ichi Kagei, Hiroto Tachikawa, and Yoshinobu Ishitani 6295-6300 Photoisomerization of Azobenzenecarboxylic Acids and Their Potassium Salts: Evidence of Structural Volume Changes Associated with Hydrogen Bond Formation Miguel A. Rodríguez and Silvia E. Braslavsky 6301-6308

Quantum Control of NaI Predissociation in Subpicosecond and Several-Picosecond Time Regimes K. Hoki, Y. Ohtsuki, H. Kono, and Y. Fujimura 6309-6326 Quantum Mechanical and Quasiclassical Trajectory Surface Hopping Studies of the Electronically Nonadiabatic Predissociation of the à State of NaH2 Michael D. Hack, Ahren W. Jasper, Yuri L. Volobuev, David W. Schwenke, and Donald G. Truhlar

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

6327-6334 Two-Photon Spectroscopy of the Acetaldehyde-Ar Complex Y. Kim, J. Fleniken, and H. Meyer 6335-6338 Solvatochromic Shifts Reconsidered: Field-Induced Mixing in the Nonlinear Region and Application to Indole John R. Lombardi 6339-6343 Is There Any Effect of Solution Microstructure on the Solvated Electron Absorption Spectrum in LiCl/H2O Solutions? A. N. Asaad, N. Chandrasekhar, A. W. Nashed, and P. Krebs 6344-6350 The OCS Trimer: Isotopic Studies, Structure, and Dipole Moment Rebecca A. Peebles and Robert L. Kuczkowski 6351-6359 Electron Spin Resonance and Molecular Oribtal Study of One-Electron-Reduced O,O'-Diphenylenehalonium Cations: First Evidence for a Diaryliodine Radical, Ar2I or Simply a New *-Radical? Yurii V. Razskazovskii, Michael J. Raiti, and Michael D. Sevilla

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

6360-6365 Fast-Flow Study of the CH + CH Reaction Products A. Bergeat, T. Calvo, G. Dorthe, and J.-C. Loison 6366-6372 On the Rate Constant for the Association Reaction H + CN + Ar HCN + Ar S. P. J. Rodrigues and A. J. C. Varandas 6373-6382 Gas-Phase Coordination of Mg+, (c-C5H5)Mg+, and (c-C5H5)2Mg+ with Small Inorganic Ligands Rebecca K. Milburn, Vladimir Baranov, Alan C. Hopkinson, and Diethard K. Bohme 6383-6386 Sum Frequency Generation of O-H Vibrations on the Surface of H2O/HNO3 Solutions and Liquid HNO3 Cheryl Schnitzer, Steve Baldelli, D. J. Campbell, and Mary Jane Shultz

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

6387-6393 Theoretical C-H Bond Dissociation Enthalpies for CH3Br and CH2ClBr J. Espinosa-García , S. Dóbé 6394-6401 Hydrogen Bond versus Anti-Hydrogen Bond: A Comparative Analysis Based on the Electron Density Topology E. Cubero, M. Orozco, P. Hobza, and F. J. Luque 6402-6405 Direct Dynamics Study on the Hydrogen Abstraction Reaction PH3 + H PH2 + H2 Xin Yu, Shen-Min Li, Jing-Yao Liu, Zhen-Feng Xu, Ze-Sheng Li, and Chia-Chung Sun 6406-6412 Inter-Ring Torsions in N-Phenylmaleimide and Its o-Halo Derivatives: in Experimental and Computational Study Christopher W. Miller and Charles E. Hoyle , Edward J. Valente and David H. Magers, E. Sonny Jönsson 6413-6419 Theoretical Study of the Heats of Formation of Small Silicon-Containing Compounds David Feller and David A. Dixon 6420-6428 Vibrational Assignment and Dipole Moment Derivatives of Liquid Bromobenzene at 25 C C. Dale Keefe, Leslie A. Donovan, and Stephen D. Fleet 6429-6432 Accurate Indium Bond Energies Charles W. Bauschlicher, Jr. 6433-6441 Ab Initio Study of Substitution Effect and Catalytic Effect of Intramolecular Hydrogen Transfer of N-Substituted Formamides Jin-Xiang Guo and Jia-Jen Ho 6442-6447 Structures and Photoelectron Spectroscopies of Si2C2- Studied with ab Initio Multicanonical Monte Carlo Simulation Pradipta Bandyopadhyay, Seiichiro Ten-no, and Suehiro Iwata 6448-6457 A Non-Empirical Intermolecular Potential for Oxalic Acid Crystal Structures Irene Nobeli and Sarah L. Price 6458-6467 Hyperconjugative Effects in Carbenium and Silicenium Ions Harold Basch, Tova Hoz, and Shmaryahu Hoz 6468-6474 Ab Initio Study of Interactions in Hydrazine Clusters of One To Four Molecules: Cooperativity in the Interaction Enrique M. Cabaleiro-Lago and Miguel A. Ríos 6475-6484 Theoretical Study of Boron-Ammonia Reactions Zhi-Xiang Wang, Ming-Bao Huang, and Paul von Ragué Schleyer

GENERAL PHYSICAL CHEMISTRY

6485-6491Model of Noncritical Concentration Fluctuations in Binary Liquids. Verification by Ultrasonic Spectrometry of Aqueous Systems a nd Evidence of Hydrophobic Effects A. Rupprecht and U. Kaatze

ADDITIONS AND CORRECTIONS

6492-6492 Proton Affinities of Primary Alkanols: An Appraisal of the Kinetic Method John L. Holmes, Christine Aubry, and Paul M. Mayer