Journal of Physical Chemistry, 2002, V 106, N 39, October 3.

ARTICLES

DYNAMICS AND RELAXATION

Substituent Effects in Molecular Electronic Relaxation Dynamics via Time-
Resolved Photoelectron Spectroscopy: * States in Benzenes
Shih-Huang Lee, Kuo-Chun Tang, I-Chia Chen, M. Schmitt, J. P. Shaffer,
T. Schultz, Jonathan G. Underwood, M. Z. Zgierski, and Albert Stolow
pp 8979 - 8991

Rotational-Level Dependence of OH A2+ Quenching at 242 and 196 K
Brooke L. Hemming and David R. Crosley
pp 8992 - 8995; 

Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface
via an Eley-Rideal Mechanism
Anthony J. H. M. Meijer, Adam J. Farebrother, and David C. Clary
pp 8996 - 9008;  

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Ohmic Brownian Oscillator Approach to Hole-Burning and Photon-Echo 
Spectroscopies
Mohamad Toutounji
pp 9009 - 9016;  

Reactions of Zirconium and Hafnium Atoms with Ammonia. Matrix Infrared Spectra 
and Density Functional Calculations of the MNH3 and H2MNH (M = Zr and Hf) 
Molecules
Mingfei Zhou, Mohua Chen, Luning Zhang, and Hao Lu
pp 9017 - 9023; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Decomposition of HMX at Extreme Conditions: A Molecular Dynamics Simulation
M. Riad Manaa, Laurence E. Fried, Carl F. Melius, Marcus Elstner, and Th. Frauenheim
pp 9024 - 9029

Reaction Kinetics in the Ionic Liquid Methyltributylammonium 
Bis(trifluoromethylsulfonyl)imide. Pulse Radiolysis Study of 4-Mercaptobenzoic 
Acid
J. Grodkowski and P. Neta
pp 9030 - 9035; 

Pulse Radiolysis Study on Reactions of a Hydrated Electron with Europium(III)-
Aminopolycarboxylate Complexes in Aqueous Perchlorate Media
Ryuji Nagaishi, Takaumi Kimura, Yoichi Yoshida, Takahiro Kozawa, and Seiichi 
Tagawa
pp 9036 - 9041; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Density Functional Study and Normal-Mode Analysis of the Bindings and Vibrational Frequency Shifts
of the Pyridine-M (M = Cu, Ag, Au, Cu+, Ag+, Au+, and Pt) Complexes
De-Yin Wu, Bin Ren, Yu-Xiong Jiang, Xin Xu, and Zhong-Qun Tian
pp 9042 - 9052;  DOI: 10.1021/jp025970i
(189K)  


Theoretical Study of the aza-Wittig Reactions of X3P=NH (X=H and Cl) with 
Formaldehyde in Gas Phase and in Solution
Ying Xue, Daiqian Xie, and Guosen Yan
pp 9053 - 9058;  

Theoretical Study of the Adsorption of Bisulfate on Small Gold Clusters
Marc D. Legault and Daniel E. Bacelo
pp 9059 - 9064; 

Comparative G2(MP2) Molecular Orbital Study of B3H7XH3 and H3BXH3 Donor-Acceptor 
Complexes (X = N, P, and As)
A. Es-sofi, C. Serrar, A. Ouassas, A. Jarid, A. Boutalib, I. Nebot-Gil, and
 F. Tomás
pp 9065 - 9070;  

Theoretical Investigation of the Kinetics for the Reactions of H with GeH(4-n)Fn 
(n = 0, 1, 2, 3)
Qingzhu Zhang, Shaokun Wang, and Yueshu Gu
pp 9071 - 9077;  

Ab Initio Study of the Thiolysis of Trimethyl Phosphate Ester in the Gas Phase
Guilherme Menegon, Michel Loos, and Hernan Chaimovich
pp 9078 - 9084;  

Physicochemical Interpretation of Molecular Connectivity Indices
Ernesto Estrada
pp 9085 - 9091;  

Influence of Substituents on Cation- Interactions. 2. Absolute Binding Energies 
of Alkali Metal Cation-Fluorobenzene Complexes Determined by Threshold 
Collision-Induced Dissociation and Theoretical Studies
R. Amunugama and M. T. Rodgers
pp 9092 - 9103;  

A Computational Study of the Hydration of the OH Radical
S. Hamad, S. Lago, and J. A. Mejías
pp 9104 - 9113;  

Halogen Bond in (CH3)nX (X = N, P, n = 3; X = S, n = 2) and (CH3)nXO (X = N, P, 
n = 3; X = S, n = 2) Adducts with CF3I. Structural and Energy Analysis Including 
Relativistic Zero-Order Regular Approximation Approach in a Density Functional 
Theory Framework
Pina Romaniello and Francesco Lelj
pp 9114 - 9119;  

GENERAL PHYSICAL CHEMISTRY

Electron Localization in Liquid Acetonitrile
I. A. Shkrob and M. C. Sauer, Jr.
pp 9120 - 9131;  

Electron Localization in Solid Acetonitrile
Ilya A. Shkrob, Keiji Takeda, and Ffrancon Williams
pp 9132 - 9144;