Journal of Physical Chemistry A, 2003, V. 107, No. 25, June 26.

LETTERS

 
Philicity: A Unified Treatment of Chemical Reactivity and Selectivity
Pratim Kumar Chattaraj, Buddhadev Maiti, and Utpal Sarkar
pp 4973 - 4975;

ARTICLES

DYNAMICS AND RELAXATION 
 
Collisions of HCl with Rare Gas and Molecular Colliders
Elisabeth A. Wade, K. Thomas Lorenz, 
James L. Springfield, and David W. Chandler
pp 4976 - 4981;    
 
 
Rotational Isomerization of Dithienylethenes: A Study on the Mechanism
Determining Quantum Yield of Cyclization Reaction
Alexander Goldberg, Akinori Murakami, Katsuya Kanda, Takao Kobayashi,
Shinichiro Nakamura, Kingo Uchida, Hiroshi Sekiya, Tuyoshi Fukaminato,
Tsuyoshi Kawai, Seiya Kobatake, and Masahiro Irie
pp 4982 - 4988;  
 
 
Structure and Intramolecular Charge-Transfer Dynamics of 
p-(Dimethylamino)benzonitrile in Solvent Clusters
Hiroyuki Saigusa, Eijiro Iwase, and Masashi Nishimura
pp 4989 - 4998;   
 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Reactivity of Small Cationic Platinum Clusters
Konrad Koszinowski, Detlef Schroder, and Helmut Schwarz
pp 4999 - 5006;  
 
 
Vibrational Predissociation Spectroscopic and Ab Initio
Theoretical Studies on Protonated Ethylenediamine-(Water)3 Complex
Kwang-Yon Kim, Huan-Cheng Chang, Yuan T. Lee, Ung-In Cho, and Doo Wan Boo
pp 5007 - 5013; 
 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Reaction of Hydroxyl Radical with Acetone. 1. Kinetics of the Reactions
of OH, OD, and 18OH with Acetone and Acetone-d6
Tomasz Gierczak, Mary K. Gilles, Stefan Bauerle, and A. R. Ravishankara
pp 5014 - 5020;  
 
 
Reaction of Hydroxyl Radical with Acetone. 2. Products and Reaction Mechanism
Ranajit K. Talukdar, Tomasz Gierczak, David C. McCabe, and A. R. Ravishankara
pp 5021 - 5032;    
 
 
Nuclear Magnetic Resonance Studies of the 1,4-Cyclohexanedione-Bromate-Acid
Oscillatory System
Melanie M. Britton
pp 5033 - 5041;   
 
 
Mechanism of Pyrrolyl Oxidation in Star-Shaped Compounds
M. Lazerges, M. Jouini, P. Hapiot, P. Guiriec, and P.-C. Lacaze
pp 5042 - 5048;   
 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Ab Initio Quantum Chemical Investigation of the Spin States of Some
Chain and Monocyclic Diradicals
Sambhu N. Datta, Prasun Mukherjee, and Praket P. Jha
pp 5049 - 5057; 
 
Finite Temperature Structure and Dynamics of Zinc Dialkyldithiophosphate
Wear Inhibitors: A Density Functional Theory and ab
Initio Molecular Dynamics Study
Nicholas J. Mosey and Tom K. Woo
pp 5058 - 5070;  
 
 
From ab Initio Calculations to Model Hamiltonians: The Effective
Hamiltonian Technique as an Efficient Tool to
Describe Mixed-Valence Molecules
Helene Bolvin
pp 5071 - 5078;   
 
 
Exploration of the Full Conformational Space of 
N-Acetyl-L-glutamine-N-methylamide. An ab Initio and 
Density Functional Theory Study
Marco W. Klipfel, Miguel A. Zamora, Ana M. Rodriguez,
Noemi G. Fidanza, Ricardo D. Enriz, and Imre G. Csizmadia
pp 5079 - 5091; 
 
Reaction Mechanism of the Synthesis of Ammonia in the N2/H2/BeO
and N2/H2/FeO Systems: A Theoretical Study
Der-Yan Hwang and Alexander M. Mebel
pp 5092 - 5100; 
 
 
Oxygen Atom ion of Hydrogen Chemisorbed on a Silicon Surface
J. Ree, Y. H. Kim, and H. K. Shin
pp 5101 - 5109;   
 
 
Bound States of the Cl(2P)-HCl van der Waals Complex from
Coupled ab Initio Potential Energy Surfaces
W. B. Zeimen, J. Kos, G. C. Groenenboom, and A. van der Avoird
pp 5110 - 5121;  
 
 
Ab Initio Predictions for Thermochemical Parameters
for Tin-Oxygen Compounds
Ida M. B. Nielsen, Curtis L. Janssen, and Mark D. Allendorf
pp 5122 - 5127; 
 
A Theoretical Study on the Structure of Poly((R)-3-hydroxybutanoic acid)
Yu-Xue Li and Yun-Dong Wu
pp 5128 - 5137; 
 

GENERAL PHYSICAL CHEMISTRY 
 
Evaluation of Photodynamic Therapy Agents through Transient Grating Measurements
Andrew C. Beveridge, Barbara A. Bench, Sergiu M. Gorun, and Gerald J. Diebold
pp 5138 - 5143;   
 

ADDITIONS AND CORRECTIONS
 
 
Raman, Infrared, and Surface-Enhanced Raman Spectroscopy in Combination
with ab Initio and Density Functional Theory Calculations
on 10-Isopropyl-10H-phenothiazine-5-oxide
M. Bolboaca, T. Iliescu, Cs. Paizs, F. D. Irimie, and W. Kiefer:
pp 5144 - 5144;