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;