The Journal of Physical Chemistry A, 1999, V 103, N 51, 23 December.

LETTERS


11253-11256
Bond-Coupled Electron Transfer Reactions:  Photoisomerization of
Norbornadiene to Quadricyclane
A. Cuppoletti, J. P. Dinnocenzo, J. L. Goodman, and I. R. Gould 


ARTICLES


DYNAMICS AND RELAXATION


11257-11263
Femtosecond Laser Ablation of Liquid Toluene: Molecular Mechanism S
tudied by Time-Resolved Absorption Spectroscopy 
Koji Hatanaka, Tamitake Itoh, Tsuyoshi Asahi, Nobuyuki Ichinose,
Shunichi Kawanishi,Tsuneo Sasuga, Hiroshi Fukumura, and Hiroshi Masuhara 

11264-11270
Near-Field Scanning Optical Microscopy of Single Fluorescent
Dendritic Molecules 
Joost A. Veerman, Stefano A. Levi, Frank C. J. M. van Veggel,
David N. Reinhoudt, and Niek F. van Hulst 

11271-11278
DNP and CIDEP Study of Cross-Relaxation Processes in Short-Lived
Radicals in Solution 
Elena G. Bagryanskaya and Gennady S. Ananchenko , Toshio Nagashima and 
Kiminori Maeda , Sergei Milikisyants and Henning Paul 




SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


11279-11286
High-Frequency Electron Paramagnetic Resonance Studies of VO2+
in Low-Temperature Glasses 
Devkumar Mustafi, Elena V. Galtseva, J. Krzystek, Louis-Claude Brunel, and
Marvin W. Makinen 

11287-11292
Experimental and Theoretical Studies of Metal Cation-Pyridine Complexes
Containing Cu and Ag 
Yuh-Sheng Yang, Wen-Yi Hsu, Hsiu-Fang Lee, Ya-Chien Huang, and Chen-Sheng Yeh 
, Ching-Han Hu 

11293-11298
Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules.
IR Multiple-Photon Absorption in SF6. 1. Experimental Studies 
V. N. Lokhman, A. N. Petin, E. A. Ryabov, and V. S. Letokhov 

11299-11309
Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules.
IR Multiple-Photon Absorption in SF6.
2. Theoretical Simulation and Comparison with Experiment 
V. N. Lokhman, A. A. Makarov, I. Yu. Petrova, E. A. Ryabov, and V. S. Letokhov 

11310-11314
Rotational Spectrum and Internal Rotation of Tricarbonyl(isoprene) Iron 
O. Indris and W. Stahl 



KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


11315-11320
Production of SiO and Si(3P) Atom in the Reaction of Silane
with O(1D) 
Atsuko Takahara, Atsumu Tezaki, and Hiroyuki Matsui 

11321-11327
Kinetic Investigation of the Reactions of Mg(1S),
Ca(1S), and Sr(1S) Atoms with NO2 over the
Temperature Ranges 303-836, 303-916, and 303-986 K, Respectively 
Chris Vinckier, Joëlle Helaers, Piet Christiaens, and Jan Remeysen 

11328-11335
Characterization of Reaction Pathways on the Potential Energy Surfaces
for H + SO2 and HS + O2 
A. Goumri, John-David R. Rocha, Dianna Laakso, C. E. Smith, and Paul Marshall 

11336-11339
Vapor Supersaturation in Collapsing Bubbles. Relevance to the Mechanisms of
Sonochemistry and Sonoluminescence 
A. J. Colussi and M. R. Hoffmann 

11340-11344
Kinetics of the NCS Radical 
Randall E. Baren and John F. Hershberger 

11345-11349
Experimental Determination of the Dependence of OH Radical Yield on Photon
Energy:  A Comparison with Theoretical Simulations 
J. Fulford, P. Bonner, D. T. Goodhead, M. A. Hill, and P. O'Neill 



MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


11350-11354
Oxidation of Arylcyclopropanes in Solution and in a Zeolite:
Structure and Rearrangement of the Phenylcyclopropane Radical Cation 
Heinz D. Roth, Torsten Herbertz,  Prasad S. Lakkaraju,  Gregory Sluggett, and
Nicholas J. Turro 

11355-11365
Deformation of Poly(dimethylsiloxane) Oligomers under Uniaxial Tension:
Quantum Chemical View 
E. A. Nikitina , V. D. Khavryutchenko , E. F. Sheka , H. Barthel and J. Weis 

11366-11377
Scaling Factors for the Prediction of the Frequencies of the Ring Modes in
Benzene Derivatives 
Mauricio Alcolea Palafox 

11378-11386
Microscopic Based Density Matrix Treatments of Electron-Transfer Reactions
in Condensed Phases 
Chienyu F. Jen and Arieh Warshel 

11387-11393
Investigation of Cu2+ Hydration and the Jahn-Teller Effect in
Solution by QM/MM Monte Carlo Simulations 
Gerhard W. Marini, Klaus R. Liedl, and Bernd M. Rode 

11394-11405
Dual-Level Direct Dynamics of the Hydroxyl Radical Reaction with Ethane
and Haloethanes:  Toward a General Reaction Parameter Method 
S. Sekuak, M. G. Cory, R. J. Bartlett, and A. Sablji

11406-11413
Metal-Stabilized Rare Tautomers and Mispairs of DNA Bases:  N6-Metalated
Adenine and N4-Metalated Cytosine, Theoretical and Experimental Views 
Jií poner, Judit E. poner, Leonid Gorb, Jerzy Leszczynski, and Bernhard Lippert 

11414-11424
Using Locally Dense Basis Sets for the Determination of Molecular Properties 
G. A. DiLabio 

11425-11430
A DFT Characterization of the Mechanism for the Cycloaddition Reaction
between 2-Methylfuran and Acetylenedicarboxylic Acid 
Luis R. Domingo, M. Teresa Picher, and M. José Aurell 

11431-11441
The Dimer of Acetylene and the Dimer of Diacetylene:  A Floppy and a Very
Floppy Molecule 
Alfred Karpfen 

11442-11450
Fundamental Studies on the Structure and Spectroscopic Behavior of Phenol Blue 
John O. Morley and Ann L. Fitton 

11451-11459
Dissociation Pathways of Peroxyacetyl Nitrate (PAN) 
Charles E. Miller, Julia I. Lynton, and Derek M. Keevil, Joseph S. Francisco 

11460-11464
Structure and Conformation of Furfurylamine Determined by Gas-Phase
Electron Diffraction, Microwave Spectroscopy Data, and ab Initio Molecular
Orbital Calculations 
Kolbj

11465-11468
Theoretical Thermochemistry of the 1-Buten-3-yn-1-yl Radical and Its Chloro
Derivatives 
Jerzy Cioslowski, Guanghua Liu, and David Moncrieff 

11469-11473
Ab Initio MO and Density Functional Theory Study of Substituent Effects on
Electron Attachment to Benzyl Chlorides 
Piotr I. Dem'yanov, Eugene M. Myshakin, Gernot Boche, Valery S. Petrosyan, and
Leonid N. Alekseiko 

11474-11480
Matrix Isolation and Density Functional Study of the Reaction of
OVCl3 with CH3OH:  Synthesis and Characterization of
Cl2V(O)OCH3 
Bruce S. Ault 



GENERAL PHYSICAL CHEMISTRY

11481-11485

New Methods for Estimating the Heats of Formation, Heat Capacities, and
Entropies of Liquids and Gases 
Sidney W. Benson 


ADDITIONS AND CORRECTIONS


11486-11486
A Theoretical Investigation of Benzene-AlX3 and
Ethene-AlX3 (X = H, F, Cl) Interactions 
P. Tarakeshwar and Kwang S. Kim: