The Journal of Physical Chemistry A, 2000, V 104, N 33, 24 August.

LETTERS


7711-7714
Determination of Triplet Quantum Yields from Triplet-Triplet Annihilation 
Fluorescence 
Sergei M. Bachilo and R. Bruce Weisman 


FEATURE ARTICLE


7715-7733
Experimental Determination of Vibrational Potential Energy Surfaces and
Molecular Structures in Electronic Excited States 
Jaan Laane 


ARTICLES


DYNAMICS AND RELAXATION

7734-7737
A Computational Study of the Apparent Discrepancy between the Solid-State
and Gas-Phase Value of the C-C Bond in Cubane 
Jan Dillen 

7738-7743
Full Dimensional Ab Initio Dynamics Calculations of Electron Capture
Processes of the H4+ Ion 
Hiroto Tachikawa 

7744-7750
Qualitative Features of Electron Transfer Reaction for High Viscosity
of Solvent and Low Activation Barrier 
Akira Okada 

7751-7761
A Brownian Oscillator Approach to the Kennard-Stepanov Relation 
Y. Zhao and R. S. Knox 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


7762-7775
MCD of Nonaromatic Cyclic -Electron Systems. 3. The Perimeter Model for 
Low-Symmetry "Unaromatic" and "Ambiaromatic" Molecules Derived from
4N-Electron [n]Annulenes 

7776-7784
MCD of Nonaromatic Cyclic -Electron Systems. 4. Explicit Relations
 between Molecular Structure and Spectra 
Jörg Fleischhauer and Josef Michl 

7785-7792
Charge-Transfer Formation and Geometry of the Naphthalene-Trimethylamine
 van der Waals Complex 
Darren P. Andrews, Godfrey S. Beddard, and Benjamin J. Whitaker 

7793-7802
Size Effects on Photodissociation and Caging of Hydrogen Bromide Inside
or on the Surface of Large Inert Clusters:  From One to Three Icosahedral
Argon Layers 
Petr Slavíek, Petra ďánská, and Pavel Jungwirth,
Reinhard Baumfalk and Udo Buck 

7803-7810
Surface Enhanced Raman Scattering and Normal Coordinate Analysis of 1,10-
Phenanthroline Adsorbed on Silver Sols 
Maurizio Muniz-Miranda 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


7811-7820
Reactivity and Structure of Hydrogenated Carbon Cluster Ions 
CnHx+ (n = 18,
20, 24; x = 4-12) Derived from Polycyclic Aromatic Hydrocarbons by Splitting 
off H Atoms:  Reactions with Dimethyl Disulfide 
Xinghua Guo and Hans-Friedrich Grützmacher 

7821-7833
The Pressure Dependence of the OH Radical Yield from Ozone-Alkene Reactions 
Jill D. Fenske, Alam S. Hasson, Suzanne E. Paulson, Keith T. Kuwata, 
Andy Ho, and K. N. Houk 

7834-7839
Mechanistic Study of CO2 Photoreduction in Ti Silicalite Molecular
 Sieve by FT-IR Spectroscopy 
N. Ulagappan and H. Frei 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


7840-7846
A New Method of Determining the Nonempirical Potential Functions-Application to 
an Ionic Fragmentation Reaction of tert-butyl Chloride in Aqueous Solution 
Toshio Watanabe and Osamu Kikuchi 

7847-7855
New Channels in the Reaction Mechanism of the Atmospheric Oxidation of Toluene 
Victor Hugo Uc, 
Isidoro García-Cruz, Alfonso Hernández-Laguna, and Annik Vivier-Bunge 

7856-7870
Rearrangements of 2-Nitrobenzyl Compounds. 1. Potential Energy Surface of 2-
Nitrotoluene and Its Isomers Explored with ab Initio and Density Functional 
Theory Methods 
Yuri V. Il'ichev and Jakob Wirz 

7871-7880
An Ab Initio and Density Functional Theory Investigation of the Structures and
Energetics of Halide Ion-Alcohol Complexes in the Gas Phase 
B. Bogdanov and T. B. McMahon 

7881-7891
Gas-Phase Reaction Pathways of Aluminum Organometallic Compounds with 
Dimethylaluminum Hydride and Alane as Model Systems 
Brian G. Willis and Klavs F. Jensen 

7892-7897
Dimethyldioxirane, Carbonyl Oxide, and the Transition State Connecting Them:
Electronic Structures, Relative Energies, and Vibrational Frequencies 
Seung-Joon Kim, Henry F. Schaefer III 

7898-7905
Nuclear Dynamics Discrete Variable Representation Study of the Equilibrium 
Isotope Effect on H2 Binding in M(2-
H2)Ln Complexes:  An Effective Theoretical 
Way To Account for Anharmonicity 
Laia Torres, Ricard Gelabert, Miquel Moreno, and José M. Lluch 


GENERAL PHYSICAL CHEMISTRY


7906-7915
Intercompartmental Electron Exchange in Geometrically-Constrained Ru-Os Triads 
Built around Diethynylated Aryl Hydrocarbons 
Abdelkrim El-ghayoury, Anthony Harriman, and Raymond Ziessel 


ADDITIONS AND CORRECTIONS


7916-7916
Computationally Efficient Methodology To Calculate C-H and C-X 
(X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes. 
W. Sean McGivern, Agnes Derecskei-Kovacs, Simon W.North, and Joseph S.Francisco: