Journal of Physical Chemistry, 2004, V 108, N 25, 24 June.


LETTERS

Tracking Waves and Spiral Drift in Reaction-Diffusion Systems with Finite Bandwidth Dispersion Relations Niklas Manz and Oliver Steinbock pp 5295 - 5298;
ARTICLES

DYNAMICS AND RELAXATION
A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy: Identification of the Imine Intermediate H2NCOCHNH J. M. Dyke, G. Levita, A. Morris, J. S. Ogden, A. A. Dias, M. Algarra, J. P. Santos, M. L. Costa, P. Rodrigues, and M. T. Barros pp 5299 - 5307; Investigation of Excited-State Proton Transfer in 2-Naphthol Derivatives Included in Langmuir-Blodgett Films Agnieszka Miroczyk, Andrzej Jankowski, Antoni Chyla, Andrzej Oyhar, and Piotr Dobryszycki pp 5308 - 5314; Turing Patterns, Spatial Bistability, and Front Instabilities in a Reaction-Diffusion System Istvan Szalai and Patrick De Kepper pp 5315 - 5321;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Density-Functional Study on the Structures, Stabilities, and Dissociation Pathways of Sc3+(DMSO)n Complexes (n = 1-6) Chuanyun Xiao, Frank Hagelberg, and Ahmed M. El-Nahas pp 5322 - 5332; Cavity Ring-Down Laser Absorption Spectroscopy of the E3-X3 Transition of VN Tongmei Ma, J. W-H. Leung, and A. S-C. Cheung pp 5333 - 5337; A Comparative Study of Overtone CH-Stretching Vibrational Circular Dichroism Spectra of Fenchone and Camphor Giovanna Longhi, Roberto Gangemi, France Lebon, Ettore Castiglioni, Sergio Abbate, Vaughan M. Pultz, and David A. Lightner pp 5338 - 5352; Conformational Studies of Fluoromethylcyclopropane from Temperature-Dependent FT-IR Spectra of Xenon Solutions and Ab Initio Calculations James R. Durig, Zhenhong Yu, Chao Zheng, and Gamil A. Guirgis pp 5353 - 5364;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Infrared Optical Constants for Carvone from the Mie Inversion of Aerosol Extinction Spectra Michelle T. Dohm, Allison M. Potscavage, and Richard F. Niedziela pp 5365 - 5376; Mechanistic Investigations of the BZ Reaction with Oxalic Acid Substrate. I. The Oscillatory Parameter Region and Rate Constants Measured for the Reactions of HOBr, HBrO2, and Acidic BrO3- with Oxalic Acid Krisztina Pelle, Maria Wittmann, Klara Lovrics, Zoltan Noszticzius, Maria L. Turco Liveri, and Renato Lombardo pp 5377 - 5385;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Photochemistry of Butyrophenone: Combined Complete-Active-Space Self-Consistent Field and Density Functional Theory Study of Norrish Type I and II Reactions Hong-Yuan He, Wei-Hai Fang, and David Lee Phillips pp 5386 - 5392; Large Long-Range F-F Indirect Spin-Spin Coupling Constants. Prediction of Measurable F-F Couplings over a Few Nanometers Patricio F. Provasi, Gustavo A. Aucar, and Stephan P. A. Sauer pp 5393 - 5398; Polycyclic Aromatic Hydrocarbons with Five-Membered Rings: Distributions within Isomer Families in Experiments and Computed Equilibria Nathan D. Marsh and Mary J. Wornat pp 5399 - 5407; Monte Carlo Bohmian Dynamics from Trajectory Stability Properties Jian Liu and Nancy Makri pp 5408 - 5416; Ab Initio Molecular Orbital Investigation of a Precursor in Ethylene Biosynthesis: Proton Transfer in a Cluster of 1-Aminocyclopropane- 1-carboxylic Acid and Water Mika Ito, Suyong Re, and Hiroaki Tokiwa pp 5417 - 5423; Dynamic Study of O2 Adsorption and Dissociation on Pd Low-Index Surfaces Zexin Wang, Xiangfeng Jia, and Rui Wang pp 5424 - 5430; Vibrational Spectrum and Thermochemistry of the Formyl (HCO) Radical: A Variational Study by the Coupled Cluster CCSD(T) Method with Complete Basis Set Extrapolation Aleksandr V. Marenich and James E. Boggs pp 5431 - 5437; Structural Dependence of NH Stretch Mode Frequency Shifts in Amide and Peptide Systems Noemi G. Mirkin and Samuel Krimm pp 5438 - 5448; Miscibility of Zinc Chalcogenides Florian Janetzko and Karl Jug pp 5449 - 5453; Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) with Molecular Mechanics by the Generalized Hybrid Orbital (GHO) Method Jingzhi Pu, Jiali Gao, and Donald G. Truhlar pp 5454 - 5463; Theoretical Study of Ar-CoCO Yuriko Ono and Tetsuya Taketsugu pp 5464 - 5467; Three-Dimensional Generalized Graph Matrix, Harary Descriptors, and a Generalized Interatomic Lennard-Jones Potential Ernesto Estrada pp 5468 - 5473; Molecular Structures of Trimethylchlorogermane, (CH3)3GeCl, and Trimethylbromogermane, (CH3)3GeBr, Obtained by Gas-Phase Electron Diffraction and Theoretical Calculations Kirsten Aarset and Elizabeth M. Page pp 5474 - 5478; Validation of Exchange-Correlation Functionals for Spin States of Iron Complexes Marcel Swart, Andre R. Groenhof, Andreas W. Ehlers, and Koop Lammertsma pp 5479 - 5483; ESR Investigation of Chemical Exchange in Geminally Diphosphorylated Linear Nitroxide Radicals Antal Rockenbauer, Gilles Olive, Xavier Rozanska, Alain Jacques, Didier Gigmes, Francois Le Moigne, Daniel Peeters, Anton German, and Paul Tordo pp 5484 - 5489;
GENERAL PHYSICAL CHEMISTRY
Electron Photodetachment from Aqueous Anions. 1. Quantum Yields for Generation of Hydrated Electron by 193 and 248 nm Laser Photoexcitation of Miscellaneous Inorganic Anions Myran C. Sauer, Jr., Robert A. Crowell, and Ilya A. Shkrob pp 5490 - 5502;