Journal of Physical Chemistry A, V 108, N 38, September 23.

LETTERS 
 
Copper Catalysis of the Oxidation of Iodide
by [FeIII(bpy)2(CN)2]+ in Acetonitrile
Xiaoguang Wang and David M. Stanbury
pp 7637 - 7638; 
 
Unimolecular Rearrangement of trans-FONO
to FNO2. A Possible Model System for 
Atmospheric Nitrate Formation
G. Barney Ellison, John M. Herbert,
Anne B. McCoy, John F. Stanton, and Peter G. Szalay
pp 7639 - 7642; 
 
A Connection between Empirical Bond Strength
and the Localization of the Electron
Density at the Bond Critical Points 
of the SiO Bonds in Silicates
G. V. Gibbs, D. F. Cox, and K. M. Rosso
pp 7643 - 7645; 

ARTICLES

DYNAMICS AND RELAXATION 
 
Photodissociation of Unsaturated Alcohols. 
Energy Distribution in the Nascent OH Radicals
Suresh Dhanya, Awadhesh Kumar,
Hari P. Upadhyaya, Prakash D. Naik, 
and Rameshwar D. Saini
pp 7646 - 7652; 
 
Solvent Effects on the Fluorescence 
Depolarization Rates of Coumarins in 
Solution: The Likely Influence of 
Site-Selective Hydrogen Bonding
Taeg Gyum Kim and Michael R. Topp
pp 7653 - 7659; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Two Types of Sources of Wave Trains in a
Two-Variable Chemical Model of a 
Bistable Reaction-Diffusion System
Marcin Leda and Andrzej L. Kawczyski
pp 7660 - 7670; 
 
Experimental and Numerical Studies
of Ethanol Decomposition Reactions
Juan Li, Andrei Kazakov, and Frederick L. Dryer
pp 7671 - 7680; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Substitution Patterns in Mono-BN-Fullerenes:
Cn (n = 20, 24, 28, 32, 36, and 40)
Jayasree Pattanayak, Tapas Kar, 
and Steve Scheiner
pp 7681 - 7685;  
 
Theoretical Study on the Rearrangement
of -OH and -OH in ESI Mass Spectrometry
by N-Phosphorylation
Zhong-Zhou Chen, Yan-Mei Li, Hai-Yan Wang, 
Jin-Tang Du, and Yu-Fen Zhao
pp 7686 - 7690; 
 
Model Calculations about the Influence of Protic
Environments on the Alkylation Step of Epoxide,
Aziridine, and Thiirane Based Cysteine
Protease Inhibitors
Holger Helten, Tanja Schirmeister, and Bernd Engels
pp 7691 - 7701; 

Alcoholysis of N-Methyl-1,2-Thiazetidine-1,1-Dioxide:
DFT Study of Water and Alcohol Effects
Maoxia He, Dacheng Feng, Feng Zhu, 
and Zhengting Cai
pp 7702 - 7708; 

Effects of Hydrogen Bonding on the
Acidity of Uracil Derivatives
Sarah R. Whittleton, Ken C. Hunter, 
and Stacey D. Wetmore
pp 7709 - 7718;
 
Resolution of Carvedilol's Conformational
Surface via Gas and Solvent Phase Density
Functional Theory Optimizations and
NMR Spectroscopy
David R. P. Almeida, Donna M. Gasparro, 
Tamas A. Martinek, Ferenc Fulop, 
and Imre G. Csizmadia
pp 7719 - 7729; 
 
The Determination of Cis-Trans Conformations
in Tetrahedral p-Phenylene Vinylene Oligomers
John E. Bushnell, Paul R. Kemper, 
Guillermo C. Bazan, and Michael T. Bowers
pp 7730 - 7735; 
 
Theoretical Study of Molecular Structures
and Properties of the Complete
Series of Chlorophenols
Jun Han, Richard L. Deming, and Fu-Ming Tao
pp 7736 - 7743; 

Quantum Mechanics Calculations on
Rhodamine Dyes Require Inclusion of 
Solvent Water for Accurate Representation
of the Structure
Luigi Cavallo, Madeleine H. Moore, 
John E. T. Corrie, and Franca Fraternali
pp 7744 - 7751; 
 
Thermodynamic Properties of C1 and 
C2 Bromo Compounds and Radicals. 
A Relativistic ab Initio Study
Mikhal Oren, Mark A. Iron, Alexander Burcat, 
and Jan M. L. Martin
pp 7752 - 7761; 
 
Anomeric Effect on Geminal and
Vicinal JHH NMR Coupling Constants
Claudio F. Tormena, Roberto Rittner, 
Ruben H. Contreras, and Juan E. Peralta
pp 7762 - 7768;