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;