Journal of Physical Chemistry A, 2003, V 107, N 13, 3 April.

ARTICLES

DYNAMICS AND RELAXATION

The Internal Energy of Neutral Ethylene Glycol Molecules
Created in the Laser Vaporization of Aerosol Particles
Ephraim Woods III, Roger E. Miller, and Tomas Baer
pp 2119 - 2125;

Theoretical Study of Ultrafast Photoinduced Electron
Transfer Processes in Mixed-Valence Systems
Haobin Wang and Michael Thoss
pp 2126 - 2136;

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Spin-Orbit Coupling Effect and Intramolecular Orbital Interactions:
Penning Ionization of CH2BrCl, CHBrCl2, and CH2BrCN
by Collision with He*(23S) Metastable Atoms
Shan Xi Tian, Naoki Kishimoto, and Koichi Ohno
pp 2137 - 2147; 

Low-Energy Structures of (C6H6)13 as Determined by Low-Temperature
Monte Carlo Simulations Using Several Potential Energy Surfaces
David C. Easter
pp 2148 - 2159;

Empirical Determination of the Harmonic Force Constants
in Benzene. 2. The C-H Stretch System
Svetoslav Rashev
pp 2160 - 2171;

Electronic and Vibrational Properties of Porphycene Anions
Rabbani M. Gulam, Toshio Matsushita, and Junji Teraoka
pp 2172 - 2178; 

Rates and Products of the Dissociative Recombination of
C3H7+ in Low-Energy Electron Collisions
Anneli Ehlerding, Susan T. Arnold, A. A. Viggiano, Shirzad Kalhori,
Jacek Semaniak, Alik M. Derkatch, S. Rose'n, Magnus af Ugglas, and Mats Larsson
pp 2179 - 2184; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Kinetics of the OH + Methyl Vinyl Ketone and OH + Methacrolein
Reactions at Low Pressure
Bao Chuong and Philip S. Stevens
pp 2185 - 2191; 

Mechanism of Photosensitized Generation of Singlet Oxygen
during Oxygen Quenching of Triplet States and the General
Dependence of the Rate Constants and Efficiencies of O2(1g+),
O2(1g), and O2(3g-) Formation on Sensitizer Triplet State
Energy and Oxidation Potential
Claude Schweitzer, Zahra Mehrdad, Astrid Noll,
Erich-Walter Grabner, and Reinhard Schmidt
pp 2192 - 2198; 

The NH3 Mass Accommodation Coefficient for
Uptake onto Sulfuric Acid Solutions
D. Hanson and E. Kosciuch
pp 2199 - 2208; 

Reactions of Cu+(1S,3D) and Au+(1S,3D) with CH3Br
William S. Taylor, Jody C. May, and Aimee S. Lasater
pp 2209 - 2215; 

Similarity of Sensitivity Functions of Reaction Kinetic Models
Istva'n Gy. Zse'ly, Judit Za'dor, and Tama's Tura'nyi
pp 2216 - 2238; 

An Investigation of the Reactivity of OH with Fluoroethanes:
CH3CH2F (HFC-161), CH2FCH2F (HFC-152),
and CH3CHF2 (HFC-152a)
Sergey N. Kozlov, Vladimir L. Orkin, and Michael J. Kurylo
pp 2239 - 2246; 

Products of the Gas-Phase Reaction of O3 with Cyclohexene
Sara M. Aschmann, Ernesto C. Tuazon, Janet Arey,
and Roger Atkinson
pp 2247 - 2255; 

Spectroscopic and Kinetic Investigation of Methylene
Amidogen by Cavity Ring-Down Spectroscopy
Boris Nizamov and Paul J. Dagdigian
pp 2256 - 2263; 

Enhanced Uptake of PAHs by Organic-Coated Aqueous Surfaces
Baagi T. Mmereki, Sri R. Chaudhuri, and D. J. Donaldson
pp 2264 - 2269; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

A Dipole Interaction Model for the Molecular Second Hyperpolarizability
Lasse Jensen, Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen, and Per-Olof A*strand
pp 2270 - 2276;

Use of ab Initio Calculations toward the Rational Design
of Room Temperature Ionic Liquids
Elizabeth A. Turner, Cory C. Pye, and Robert D. Singer
pp 2277 - 2288; 

The Structure of Dilute Clusters of Methane and Water
by ab Initio Quantum Mechanical Calculations
Eli Ruckenstein, Ivan L. Shulgin, and Jeffrey L. Tilson
pp 2289 - 2295; 

Differentiation of Cation- Bonding from Cation- Intermolecular
Interactions: A Quantum Chemistry Study Using
Density-Functional Theory and Morokuma Decomposition Methods
Weiliang Zhu, Xiaojian Tan, Jianhua Shen, Xiaomin Luo,
Feng Cheng, Puah Chum Mok, Ruyun Ji, Kaixian Chen, and Hualiang Jiang
pp 2296 - 2303; 

Alkaline Hydrolysis of Amide Bonds: Effect of Bond
Twist and Nitrogen Pyramidalization
Xabier Lopez, Jon In~aki Mujika, G. Michael Blackburn, and Martin Karplus
pp 2304 - 2315; 

Theoretical Study on the Mechanism of the Reaction of CH4 + MgO
Chang-Wei Hu, Hua-Qing Yang, Ning-Bew Wong, 
Yao-Qiang Chen, Mao-Chu Gong, An-Min Tian, Can Li, and Wai-Kee Li
pp 2316 - 2323; 

QM/MM Molecular Dynamics Simulation of the Structure
of Hydrated Fe(II) and Fe(III) Ions
Tawun Remsungnen and Bernd M. Rode
pp 2324 - 2328; 

Matrix Isolation Fourier Transform Infrared Spectroscopic
and Density Functional Theoretical Studies of the Reactions
of Chromium Atoms and Acetylene
Zhengguo Huang, Aihua Zeng, Jian Dong, and Mingfei Zhou
pp 2329 - 2333;

Group Additivity Methods in Terms of Response Reactions
Ilie Fishtik, Ravindra Datta, and Joel F. Liebman
pp 2334 - 2342;

Coupled Cluster CCSD(T) Calculations of Equilibrium
Geometries, Anharmonic Force Fields, and Thermodynamic
Properties of the Formyl (HCO) and Isoformyl (COH) Radical Species
Aleksandr V. Marenich and James E. Boggs
pp 2343 - 2350; 

Theoretical Study of Metal-Ligand Bonds in Pb(II) Porphyrins
Takayoshi Yamaki and Katsuyuki Nobusada
pp 2351 - 2355; 

Negative Ion Formation in Sodium Chloride
Trimer-An ab Initio Study
Iwona Anusiewicz and Piotr Skurski
pp 2356 - 2361; 

Trends in the Torsional Potentials of Methoxy and Trifluoromethoxy
Groups: An ab Initio and Density Functional Study on the
Structure of para-Substituted Pyridines and Pyridinium Cations
Johanna Klocker, Alfred Karpfen, and Peter Wolschann
pp 2362 - 2368; 

GENERAL PHYSICAL CHEMISTRY

Dynamics of Salol at Elevated Pressure
R. Casalini, M. Paluch, and C. M. Roland
pp 2369 - 2373; 

Quantification and Optimization of Dynamic Kinetic Resolution
John Andraos
pp 2374 - 2387;