The Journal of Physical Chemistry A, 1999, V 103, N 42, 21 October.

ARTICLES



DYNAMICS AND RELAXATION


8351-8358
193 nm Photodissociation of Thiophene Probed Using Synchrotron 
Radiation 
Fei Qi, Osman Sorkhabi, Abbas H. Rizvi, and Arthur G. Suits 

8359-8364
Site Specific Rotational Mobility of Anhydrous Glucose near the 
Glass Transition As Studied by 2D Echo Decay 13C NMR 
Dagmar van Dusschoten, Ursula Tracht, Andreas Heuer, and Hans W. Spiess 

8365-8371
Energy Relaxation Dynamics of Photofragments Measured by Probe 
Beam Deflection Technique:  Photodissociation of CF3I 
at 266 nm 
Myungkoo Suh, Wookyung Sung, Seong-Ung Heo, and Hyun Jin Hwang 

8372-8374
Triplet Characterization and Dynamics of a Novel Pyrene 
Derivative Covalently Linked to Azurin 
Alexander Berg, Tamar Galili, and Haim Levanon , Alexander B. Kotlyar and 
Miron Hazani  


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


8375-8383
Cubic Optical Response of Molecules in a Nonequilibrium 
and Equilibrium Solvation Model 
Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen, Dan Jonsson, 
Patrick Norman, and Hans Ågren 

8384-8388
Photoionization Efficiency Spectrum and Ionization Energy of OBrO 
R. Peyton Thorn, Jr. and Louis J. Stief, Thomas J. Buckley and 
Russell D. Johnson, III, Paul S. Monks, R. Bruce Klemm 

8389-8395
Van der Waals Complexes of Tropolone with Carbon Dioxide 
Valerie J. MacKenzie, Marek Z. Zgierski, and Ronald P. Steer 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


8396-8403
Generation and Kinetic Studies of Xe(5d[3/2]1) Resonance 
State Atoms 
V. A. Alekseev and D. W. Setser 

8404-8412
Kinetic Energy Release Distributions in the Dissociation of 
Energy-Selected Fluoroethene and 1,1-Difluoroethene Ions 
Felix Güthe, Robert Locht, Bernard Leyh, Helmut Baumgärtel, and
Karl-Michael Weitzel 

8413-8420
Radiation-Induced and Photosensitized Splitting of C5-C5'-Linked 
Dihydrothymine Dimers:  Product and Laser Flash Photolysis 
Studies on the Oxidative Splitting Mechanism 
Takeo Ito, Hideki Shinohara,Hiroshi Hatta, and Sei-ichi Nishimoto 
, Shin-ichi Fujita 

8421-8432
Flow Tube Studies of Benzene Charge Transfer Reactions from 250 to 1400 K 
Susan T. Arnold, Skip Williams, Itzhak Dotan, Anthony J. Midey, 
Robert A. Morris, and A. A. Viggiano 

8433-8439
Pressure Effect on CH3 and C2H3 
Cross-Radical Reactions 
Askar Fahr and Allan H. Laufer , Dwight C. Tardy 

8440-8446
Ultrafast Dynamics in the Metal-to-Ligand Charge Transfer
Excited-State Evolution of 
[Ru(4,4'-diphenyl-2,2'-bipyridine)3]2+ 
Niels H. Damrauer and James K. McCusker 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


8447-8457
Refractive Indices of Molecules in Vapor and Liquid:  
Calculations on Benzene Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen 
, Mark A. Ratner 

8458-8462
Ionization Potentials of Seaborgium 
E. Johnson, V. Pershina, B. Fricke 

8463-8470
Theoretical Estimates of Redox Potentials for Group 6 Elements, 
Including Element 106, Seaborgium, in Acid Solutions 
V. Pershina, E. Johnson, B. Fricke 

8471-8482
A Transition in the Ni2+ Complex Structure from Six- to 
Four-Coordinate upon Formation of Ion Pair Species in Supercritical Water:  
An X-ray Absorption Fine Structure, Near-Infrared, and Molecular 
Dynamics Study 
Markus M. Hoffmann, John G. Darab, Bruce J. Palmer, and John L. Fulton 

8483-8490
Theoretical Calculation of the Interaction of Hydrogen with Models of 
Coordinatively Unsaturated Centers on Alumina 
Dan Frcaiu and Povilas Lukinskas 

8491-8495
Ab Initio Topological Analysis of the Electronic Density in 
Isobutonium Cations 
Nora Okulik, Nélida M. Peruchena, Pierre M. Esteves, 
Claudio J. A. Mota, and Alicia Jubert 

8496-8504
Free Energy Gap Dependence of the Electron-Transfer Rate from the 
Inverted to the Normal Region 
N. Gayathri and B. Bagchi 

8505-8515
Nature and Dynamics of Lithium Ion Coordination in Oligo(ethylene glycol) 
Dimethacrylate-Solvent Systems:  NMR, Raman, and Quantum Mechanical Study 
J. Kí, S. Abbrent, J. Dybal, D. Kurková, J. Lindgren, 
J. Tegenfeldt, and Å. Wendsjö 

8516-8523
Ab Initio and Density Functional Studies of Substituent Effects of 
an A-U Base Pair on the Stability of Hydrogen Bonding 
Shun-ichi Kawahara, Takeshi Wada, Susumu Kawauchi, Tadafumi Uchimaru, and
Mitsuo Sekine 

8524-8527
Preferential Solvation of Li+ in 18.45  Aqueous Ammonia:  
A Born-Oppenheimer ab Initio Quantum Mechanics/Molecular Mechanics 
MD Simulation 
Anan Tongraar and Bernd M. Rode 

8528-8536
Structure and Energetics of the Weakly Bound 
NH3···H2O Complex 
J. Sadlej, R. Moszynski, J. Cz. Dobrowolski, A. P. Mazurek 

8537-8542
Classical and Inverted Structures of 
SiXnH3-nLi and SiXnH3-nNa 
P. C. Gómez and M. Alcolea Palafox, L. F. Pacios 

8543-8546
On the Mechanism of the BrO + CH2O Reaction 
Jaron C. Hansen, Yumin Li, and Joseph S. Francisco, Zhuangjie Li 

8547-8558
Structures, Energetics, and Transition States of the Silicon-Phosphorus 
Compounds Si2PHn (n = 7, 5, 3, 1). 
An ab Initio Molecular Orbital Study 
Joanne M. Wittbrodt and H. Bernhard Schlegel 

8559-8565
A Quantum Chemical Study of the C-C Bond Fission Pathways of Alkoxy Radicals 
Formed following OH Addition to Isoprene 
Theodore S. Dibble 

8566-8572
Solution Electron Affinity Perturbation Due to the Deuteration of 
[16]Annulene 
Todd L. Kurth, Eric C. Brown, Alex I. Smirnov,Richard C. Reiter, and
Cheryl D. Stevenson