The Journal of Physical Chemistry, 2001, V 105, N 8, 1 March.

EDITORIAL

 1225-1225 
To The Journal of Physical Chemistry Authors and Reviewers

ARTICLES

DYNAMICS AND RELAXATION

 1226-1231 
Formation of CH3CFCl+ from Photoionization of CH3CFCl2: An
Application of Threshold Photoelectron Photoion Coincidence
(TPEPICO) Technique Su-Yu Chiang , Yu-Chang Lee and Yuan-Pern Lee 

 1232-1237 
Diffusion of Aromatic Hydrocarbons in n-Alkanes and
Cyclohexanes Bruce A. Kowert, Nhan C. Dang, Kurtis T. Sobush,
and Louis G. Seele III 

 1238-1243 
Ultrafast Energy Equilibration in Hydrogen-Bonded Liquids A. J.
Lock, S. Woutersen, and H. J. Bakker 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 1244-1253 
Gas-Phase Spectroscopy of the Unstable Acetonitrile N-Oxide
Molecule, CH3CNO Tibor Pasinszki and Nicholas P. C. Westwood

 1254-1259 
Valence Orbital Electron Momentum Spectroscopy For N2O Feng
Wang, Michael J. Brunger, and Frank P. Larkins 

 1260-1266 
Collision Energy Dependence on the Microsolvated SN2 Reaction
of F-(H2O) with CH3Cl: A Full Dimensional Ab Initio Direct
Dynamics Study Hiroto Tachikawa [

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 1267-1269 
A Confined Electron Spherical Void Model in Sonoluminescence
Zhongzhu Liu, Liangying Yu, and Jun Luo 

 1270-1276 
Factors Affecting the Rate of Decay of the First Excited
Singlet State of Molecular Oxygen O2(a[Image]g) in
Supercritical Fluid Carbon Dioxide David R. Worrall, Ayman A.Abdel-Shafi,
and Francis Wilkinson 

 1277-1282 
Determination of the Equilibrium Constant and Thermodynamic
Parameters for the Reaction of Pentadienyl Radicals with O2
Régis Zils, Satoshi Inomata, Takashi Imamura, Akira Miyoshi,and Nobuaki Washida 

 1283-1287 
Molecular Dynamics Simulation Study of the Influence of
Conformation on the Solvation Thermodynamics of
1,2-Dimethoxyethane and 1,2-Dimethoxypropane in Aqueous
Solution Grant D. Smith and Dmitry Bedrov 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 1288-1295 
Theoretical Study of Tautomeric Forms of Uracil. 1. Relative
Order of Stabilities and Their Relation to Proton Affinities
and Deprotonation Enthalpies Eugene S. Kryachko, Minh Tho
Nguyen, and Thérèse Zeegers-Huyskens 

 1296-1301 
Theoretical Studies of Competing Reaction Pathways and Energy
Barriers for Alkaline Ester Hydrolysis of Cocaine Chang-Guo
Zhan and Donald W. Landry 

 1302-1314 
Mechanism for Unimolecular Decomposition of HMX
(1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study
Debashis Chakraborty, Richard P. Muller, Siddharth Dasgupta,
and William A. Goddard III* 

 1315-1319 
Binding Energy in and Equilibrium Constant of Formation for the
Dodecahedrane Compounds He@C20H20 and Ne@C20H20 Hugo A.
Jiménez-Vázquez and Joaquín Tamariz , R. James Cross

 1320-1325 
Bonding of [Image]-Dicarbonyls to Nickel: Structural and
Vibrational Analysis Alain Rochefort and Peter McBreen

 1326-1333 
Quantum/Classical Mechanical Comparison of Cation-[Image]
Interactions between Tetramethylammonium and Benzene Clifford
Felder, Hua-Liang Jiang, Wei-Liang Zhu, Kai-Xian Chen, Israel
Silman, Simone A. Botti, and Joel L. Sussman 

 1334-1342 
Ab Initio MCSCF Study on Eight -Electron Heterocyclic
Conjugated Systems: Energy Component Analysis of the
Pseudo-Jahn-Teller Distortion from Planarity Azumao Toyota ,
Masahiro Shiota, Yukihiko Nagae, and Shiro Koseki

 1343-1353 
Internal Bond Rotation in Substituted Methyl Radicals, H2B-CH2,
H3C-CH2, H2N-CH2, and HO-CH2: Hardness Profiles Tadafumi
Uchimaru, Asit K. Chandra, Shun-ichi Kawahara, Kazunari
Matsumura, Seiji Tsuzuki, and Masuhiro Mikami 

 1354-1356 
State-Specific Brillouin-Wigner Multireference Coupled Cluster
Study of the Singlet-Triplet Separation in the
Tetramethyleneethane Diradical Jií Pittner, Petr
Nachtigall, and Petr ársky , Ivan Huba

 1357-1365 
An ab Initio Study of Hydrogen Bonding Effects on the 15N and
1H Chemical Shielding Tensors in the Watson-Crick Base Pairs Jií Czernek 

 1366-1370 
Simple Scheme To Evaluate Crystal Nonlinear Susceptibilities:
Semiempirical AM1 Model Investigation of
3-Methyl-4-nitroaniline Crystal Frédéric Castet and Benoît Champagne 

GENERAL PHYSICAL CHEMISTRY

 1371-1382 
Nitromethyl Radical, Cation, and Anion. A Neutralization and
Electron Photodetachment-Reionization Mass Spectrometric and ab
Initio Computational Study of [C,H2,N,O2] Isomers Miroslav Polá
ek and Frantiek Tureek 

ADDITIONS AND CORRECTIONS

 1383-1384 
A Study of Silver (I) Ion-Organonitrile Complexes: Ion
Structures, Binding Energies, and Substituent Effects %Pages
716 and 718. The captions to Figures 5, 6, and 9 do not match
the artwork. These three figures should appear as Tamer Shoeib,
Houssain El Aribi, K. W. Michael Sun, and Alan C. Hopkinson*: