The Journal of Physical Chemistry A, 1999, V 103, N 40, 7 October.

LETTERS



7923-7926
Laser-Induced Fluorescence of 1,3,5-Trimethoxybenzene Radical Cation 
in Solution at Room Temperature 
Nobuyuki Ichinose, Tomoko Tanaka, Shunichi Kawanishi, Tomoe Suzuki, and
Kazunaka Endo 


ARTICLES



PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES


7927-7937
Detailed Study of Ice Clathrate Relaxation:  Evidence for the 
Existence of Clathrate Structures in Some Water-Alcohol Mixtures 
S. S. N. Murthy 

7938-7948
Quasiclassical Trajectory Study of Mg(3s3pP1) + 
H2 Reaction on Fitted ab Initio Surfaces 
Yaw-Ren Ou, Yu-Ming Hung, and King-Chuen Lin 

7949-7957
Excited-State Intramolecular H Atom Transfer of Hypericin and
 Hypocrellin A Investigated by Fluorescence Upconversion 
A. V. Smirnov, K. Das, D. S. English, Z. Wan, G. A. Kraus, and J. W. Petrich 


PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES


7958-7971
Variable-Temperature 87Rb Magic-Angle Spinning NMR 
Spectroscopy of Inorganic Rubidium Salts 
Jrgen Skibsted and Hans J. Jakobsen 

7972-7977
Infrared Spectroscopic Observation of the Stabilized Intermediate 
Complex FO3 Formed by Reaction of Mobile Fluorine Atoms
 with Ozone Molecules Trapped in an Argon Matrix 
Eugenii Ya. Misochko, Alexander V. Akimov, and Charles A. Wight 


STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER


7978-7989
Chlorination Chemistry. 1. Rate Coefficients, Reaction Mechanisms, 
and Spectra of the Chlorine and Bromine Adducts of Propargyl Halides 
Dean B. Atkinson and Jeffrey W. Hudgens 

7990-7999
A Complete Pressure-Temperature Diagram for Air Oxidation of Hydrogen 
in a Continuous-Flow Stirred Tank Reactor 
Robert J. Olsen , Dionisios G. Vlachos 

8000-8007
An Examination of the Reaction Pathways for the HOOOBr and HOOBrO 
Complexes Formed from the HO2 + BrO Reaction 
Sujata Guha and Joseph S. Francisco 

8008-8020
Kinetic Study of CH3 + HBr and CH3 + Br Reactions 
by Laser Photolysis-Transient Absorption over 1-100 Bar Pressure Range 
Lev N. Krasnoperov and Kashyap Mehta 

8021-8029
Ab Initio/Density Functional Theory and Multichannel RRKM Calculations 
for the CH3O + CO Reaction 
Baoshan Wang, Hua Hou, and Yueshu Gu 

8030-8040
A Temperature- and Composition-Dependent Study of H2SO4
Aerosol Optical Constants Using Fourier Transform and Tunable Diode Laser 
Infrared Spectroscopy 
R. F. Niedziela, M. L. Norman, C. L. DeForest, and R. E. Miller, D. R. Worsnop 

8041-8049
Dimensional Crossovers in A + B  0 Reaction in Tubular Geometries 
Ramon Reigada, Katja Lindenberg 


BIOPHYSICAL CHEMISTRY


8050-8055
Nucleotide Insertion in Cationic Bilayers 
I. S. Kikuchi, W. Viviani, and A. M. Carmona-Ribeiro 

8056-8061
Acetic Acid Molecular Aggregates:  Energy and Softness of Hydrogen Bonding 
Gloria I. Cárdenas-Jirón and Fernando Zuloaga 

8062-8066
Studies on Heats of Formation for Tetrazole Derivatives with 
Density Functional Theory B3LYP Method 
Z. X. Chen, J. M. Xiao, H. M. Xiao, and Y. N. Chiu 

8067-8074
Ab Initio Quantum Mechanical and Molecular Dynamical Study of 
Intra- and Intermolecular Anhydride Formation 
Mikael Peräkylä , Peter A. Kollman 

8075-8081
Theoretical Investigation of the O(3P) + CHX2 (X = F, Cl) 
Reactions 
Hua Hou, Baoshan Wang, and Yueshu Gu 

8082-8087
Ab Initio Study of PH2 + O2 Reaction 
by Gaussian-2 Theory 
Shigeo Kondo, Kazuaki Tokuhashi, Akifumi Takahashi, Masahiro Kaise, and Masaaki Sugie 
, Mutsumi Aoyagi and Satoshi Minamino 
8088-8092

Ab Initio Calculation of 81Br Nuclear Quadrupole 
Resonance Transition Frequencies for Brominated Aromatics (Flame Retardants) 
Chris R. Harwell, Anthony A. Mrse, Akilah I. Shelby, Leslie G. Butler, and 
Randall W. Hall 

8093-8100
Incremental Binding Free Energies in Mg2+ Complexes:  A DFT Study 
Todor Dudev and Carmay Lim 

8101-8107
A Generalized Approach for Predicting Coverage-Dependent Reaction 
Parameters of Complex Surface Reactions:  
Application to H2 Oxidation over Platinum 
Young K. Park, Preeti Aghalayam, and Dionisios G. Vlachos 

8108-8117
Computational Study of the Mechanisms for the Reaction of
 O2(3g) with Aromatic Radicals 
Cynthia Barckholtz, Michael J. Fadden, and Christopher M. Hadad 

8118-8120
Energy-Preeminent Isomer of the Ca3(PO4)2
Cluster 
Gabin Treboux, Noriko Kanzaki, Kazuo Onuma, and Atsuo Ito 

8121-8124
Hydrogen Bond Types, Binding Energies, and 1H NMR Chemical Shifts 
Janet E. Del Bene , S. Ajith Perera and Rodney J. Bartlett