The Journal of Physical Chemistry, 1999, V 103, N 23, 10 June.

LETTERS

4427-4431
A Definitive Heat of Vaporization of Silicon through Benchmark 
ab Initio Calculations on SiF4 
Jan M. L. Martin , Peter R. Taylor 

ARTICLES

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

4432-4437
Infrared Spectroscopic and ab Initio Study of HOOClO2 
Thomas Svensson and Bengt Nelander , Anders Bernhardsson and 
Gunnar Karlström 

4438-4445
Theoretical Study of the Absorption Spectrum of [(NH3)5Ru-
(4,4'-bipyridine)]2+ in Solution 
Ivo Cacelli and Alessandro Ferretti 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

4446-4456
Spin Effects on Spur Kinetics. 5. Modeling of Coherent Phenomena 
Charlotte E. Bolton and Nicholas J. B. Green 

4457-4464
Gas-Phase Reaction of Silylene with Acetone:  Direct Rate Studies, 
RRKM Modeling, and ab Initio Studies of the Potential Energy Surface 
R. Becerra , J. P. Cannady , R. Walsh 

4465-4469
A Laser Flash Photolysis Study of Some Simple Para-Substituted Derivatives 
of Singlet Phenyl Nitrene 
Nina P. Gritsan, Dean Tigelaar, and and Matthew S. Platz 

4470-4479
Absolute Rate Constant and Product Branching Fractions for the Reaction 
between F and C2H4 at T = 202-298 K 
Fred L. Nesbitt , R. Peyton Thorn, Jr. and Walter A. Payne, Jr. D. C. Tardy 

4480-4484
Spatial Disorder and Degradation Kinetics in Intrinsic Biodegradation Schemes 
Randall A. LaViolette, M. E. Watwood,T. R. Ginn, and D. L. Stoner 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

4485-4493
Theoretical Study of V2+OH2/V3+OH2 
Electron Transfer Reactivity at Electron Correlation Level 
Yuxiang Bu, Xinyu Song, and Chengbu Liu 

4494-4504
Photophysics of Malonaldehyde:  An ab Initio Study 
Andrzej L. Sobolewski and Wolfgang Domcke 

4505-4513
Ab Initio Quantum Chemical Studies of the Formaldiminoxy (CH2NO) 
Radical:  1. Isomerization Reactions 
Warwick A. Shapley and George B. Bacskay 

4514-4524
Ab Initio Quantum Chemical Studies of the Formaldiminoxy 
(CH2NO) Radical:  2. Dissociation Reactions 
Warwick A. Shapley and George B. Bacskay 

4525-4532
Theoretical Evaluation of Solvent Effects on the Conformational 
and Tautomeric Equilibria of 2-(2'-Hydroxyphenyl)benzimidazole and on 
Its Absorption and Fluorescence Spectra 
Marta Forés, Miquel Duran, and Miquel Solà , Modesto Orozco 
, F. J. Luque 

4533-4542
Ionization Energies and Bonding Scheme of Multiple-Decker Sandwich Clusters:  
Mn(C6H6)n+1 
Tomokazu Yasuike and Satoshi Yabushita 

4543-4552
High-Level ab Initio Calculations on the Gas-Phase Reactions between 
C+(2P) and Formic Acid 
Ana I. González, Alberto Luna, and Manuel Yáñez 

4553-4559
Extension of the Neglect of Diatomic Differential Overlap Method 
to Spectroscopy. NDDO-G Parametrization and Results for Organic Molecules 
Alexander A. Voityuk, Michael C. Zerner, and Notker Rösch 

4560-4563
Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane 
Paul Marshall 

4564-4571
Theoretical Quantum Chemical Study of Tautomerism and Proton Transfer in 6,8-Dithioguanine 
Nurbosyn U. Zhanpeisov, Woodrow Wilson Cox, Jr, and Jerzy Leszczynski 

4572-4579
Matrix Isolation Infrared and ab Initio Study of the 1:1 Complexes of 
Bromocyclopropane with NH3 and (CH3)3N:  
Evidence for a Novel C-H···N Hydrogen Bond 
Brooke L. Bedell, Leah Goldfarb, Erin R. Mysak, and Cindy Samet, Andy Maynard 

4580-4586
IMOMO-G2MS Approaches to Accurate Calculations of Bond Dissociation Energies of Large Molecules 
Robert D. J. Froese and Keiji Morokuma