Journal of Physical Chemistry A, 2003, V. 107, No. 35, 4 September.

FEATURE ARTICLES
 
Geometric Phase Effects in Chemical Reaction Dynamics and Molecular Spectra
Brian K. Kendrick
pp 6739 - 6756;   
 

ARTICLES

DYNAMICS AND RELAXATION 
 
Intramolecular Electron Transfer in a Covalently Linked Mutated Azurin Dimer
Ole Farver, Gerard W. Canters, Irene van Amsterdam, and Israel Pecht
pp 6757 - 6760;  
 
 
Chemical and Electronic Branching Ratios in the Chemiluminescent Reactions
of Hyperthermal Ca(3P) Atoms with CF2Cl2 and CF2=CCl2
Gustavo A. Pino, Carlos A. Rinaldi, and Juan C. Ferrero
pp 6761 - 6769; 
 
Photoblinking of Rhodamine 6G in Poly(vinyl alcohol): Radical Dark
State Formed through the Triplet
Rob Zondervan, Florian Kulzer, Sergei B. Orlinskii, and Michel Orrit
pp 6770 - 6776;   
 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Gas-Phase Photoemission Investigation of Diethynylthiophene: 
Experiment and Theory
Giovanni Polzonetti, Giorgio Contini, Vincenzo Carravetta, 
Claudio Lo Sterzo, Antonella Ricci, Angelica Ferri, 
Stefano Stranges, and Monica de Simone
pp 6777 - 6784;   
 
 
van der Waals Complex and Solvatochromism Studies of Substituted 
Benzenes and Naphthalenes
Shuo Jiang and Donald H. Levy
pp 6785 - 6791;   
 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
An Ab Initio Quantum Chemical and Kinetic Study of the NNH + O 
Reaction Potential Energy Surface: How Important Is 
This Route to NO in Combustion?
Naomi L. Haworth, John C. Mackie, and George B. Bacskay
pp 6792 - 6803; 
 
Kinetics of the Self-Reaction of C2H5 Radicals
Eugene V. Shafir, Irene R. Slagle, and Vadim D. Knyazev
pp 6804 - 6813;   
 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Synergism of Catalysis and Reaction Center Rehybridization.
A Novel Mode of Catalysis in the Hydrolysis of Carbon Dioxide
Michael Lewis and Rainer Glaser
pp 6814 - 6818;   
 
 
Comparison of Gas-Phase and Solution-Phase Reactions of Dimethyl
Sulfide and 2-(Methylthio)ethanol with Hydroxyl Radical
Michael L. McKee
pp 6819 - 6827;  
 
 
A Computational and Conceptual DFT Study of the Reactivity of
Anionic Compounds: Implications for Enzymatic Catalysis
G. Roos, S. Loverix, F. De Proft, L. Wyns, and P. Geerlings
pp 6828 - 6836; 
 
Local Softness versus Local Density of States as Reactivity Index
Loc Thanh Nguyen, Frank De Proft, Montserrat Cases Amat, 
Gregory Van Lier, Patrick W. Fowler, and Paul Geerlings
pp 6837 - 6842;   
 
 Influence of Electrostatic Environment on the 
 Vibrational Frequencies of Proteins
 Tim M. Watson and Jonathan D. Hirst
 pp 6843 - 6849;    
 
 
Matrix Isolation Infrared and ab Initio Study of Formic
Acid-Acetylene Interaction: Example of H··· and C-H···O Interaction
Lisa George, Elsa Sanchez-Garcia, and Wolfram Sander
pp 6850 - 6858;  
 
 
Theoretical Study on Structures and Stability of SiC2S Isomers
Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, Ze-sheng Li, and Chia-chung Sun
pp 6859 - 6868;   
 
 
Direct Evidence of Orbital Mixing between Water and Solvated
Transition-Metal Ions: An Oxygen 1s XAS and DFT Study of Aqueous Systems
Lars-Ake Naslund, Matteo Cavalleri, Hirohito Ogasawara,
Anders Nilsson, Lars G. M. Pettersson, Philippe Wernet,
David C. Edwards, Magnus Sandstrom, and Satish Myneni
pp 6869 - 6876;  
 
 
A CASPT2 Investigation of the Ground and First Excited Singlet
States of Fluoroiodocarbene
Jean M. Standard and Robert W. Quandt
pp 6877 - 6881; 
 
 
Classical versus Nonclassical Covalent Bonding between the Metal
Hydride Radicals MH and M'Hj 
(MH = HBe, HMg, HCa; M'Hj = Li, BeH, BH2, Na, MgH, AlH2, K, CaH, GaH2)
Eric Magnusson and Simon Petrie
pp 6882 - 6890;  
 

GENERAL PHYSICAL CHEMISTRY 
 
Gas-Phase Potassium Binding Energies of MALDI Matrices: 
An Experimental and Theoretical Study
Juan Zhang, Evgueniya Dyachokva, Tae-Kyu Ha, 
Richard Knochenmuss, and Renato Zenobi
pp 6891 - 6900;