The Journal of Physical Chemistry A<, 1999, V 103, N 46, 18 November.

LETTERS



9163-9166
Hydrogen Bond Strength and Acidity. Structural and Energetic Correlations 
for Acetylides and Alcohols 
Michael L. Chabinyc and John I. Brauman 



ARTICLES




DYNAMICS AND RELAXATION


9167-9173
Hole Transfer Equilibrium in Rigidly Linked 
Bichromophoric Molecules 
L. Chen, N. Qi, A. Houmam, Danial D. M. Wayner, 
Stephen J. Weininger, and W. Grant McGimpsey 

9174-9183
Nanosecond Laser Flash Photolysis and Steady-State Photolysis S
tudies of Benzyltrimethylsilane and Trimethylsilyldiphenylmethane 
Hiroshi Hiratsuka, Satoshi Kobayashi, Takeshi Minegishi, Masaki Hara,
Tetsuo Okutsu, and Shinji Murakami 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


9184-9189
Evidence for - Interactions in the S1 State of Zinc P
orphyrin Dimers Revealed by Picosecond Time-Resolved Resonance Raman
Spectroscopy  Satoru Nakashima, Seiji Taniguchi, Tadashi Okada, 
Atsuhiro Osuka,Yasuhisa Mizutani, and Teizo Kitagawa 

9190-9194
Structure and Energetics of Vinoxide and the X(2A' ') 
and A(2A') Vinoxy Radicals 
Leah S. Alconcel, Hans-Jürgen Deyerl, Veysel Zengin, and Robert E. Continetti 

9195-9203
Penning Ionization Electron Spectroscopic and Ab Initio Study o
f the Interaction and Ionization of HNCO and HNCS with He*(23S)
Metastable and Li(22S) Ground State Atoms  Tibor Pasinszki, 
Naoki Kishimoto, and Koichi Ohno 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


9204-9210
Conformational Dynamics of 
5,11,17,23-Tetra-p-tert-butyl-25,27-di(N,N-
diethylaminocarbonyl)methoxy-26,28-dimethoxycalix[4]arene and Its Kinetics and
Mechanisms of the Cesium Cation Complexation in Solution Studied by
1H, 13C, and 133Cs NMR Spectroscopy  
Urs C.Meier and  Christian Detellier  


Static SIMS Studies of Reactions on Mimics of Polar Stratospheric Clouds III:  
Mechanism of Chlorine Nitrate Decomposition and Reaction 
Heather A. Donsig, Dawn Herridge, and John C. Vickerman 

9221-9229
Mass-Independent Oxygen Isotope (16O, 17O, 
18O) Fractionation Found in Hx,
Ox Reactions  J
oel Savarino and Mark H. Thiemens 

9230-9240
Atmospheric Oxidation of Fluorinated Ethers, E143a (CF3OCH3), 
E134 (CHF2OCHF2), and E125
(CHF2OCF3)  
David A. Good, Mike Kamboures, Randy Santiano, and Joseph S. Francisco 

9241-9251
Direct Observation of Hydrogen Atom Adducts to Nitromethane and Methyl Nitrite. 
A Variable-Time Neutralization-Reionization Mass Spectrometric and ab
Initio/RRKM Study  Miroslav Polá and Paul Marshall 

9259-9265
Heterogeneous Chemistry of Acetone in Sulfuric Acid Solutions:  I
mplications for the Upper Troposphere 
Sean M. Kane, Raimo S. Timonen, and Ming-Taun Leu 

9266-9274
Structure of Cationized Arginine (Arg·M+, M
 = H, Li, Na, K, Rb, and Cs) in the Gas Phase:  Further Evidence for
Zwitterionic Arginine  Rebecca A. Jockusch, William D. Price, and Evan R. Williams 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


9275-9279
Equilibrium Structure and Stability of AlCn 
(n = 2, 3) and AlCnN (n = 1, 2) Species 
Xiang'e Zheng, Zhizhong Wang, and Auchin Tang 

9280-9284
Effect of Para Substituents on the Molecular and Electronic Structures o
f Sterically Congested Triplet Diphenylcarbenes 
Yingmo Hu, Katsuyuki Hirai, and Hideo Tomioka 

9285-9289
Reduction Behavior of the Early Actinyl Ions in Aqueous Solution 
Valérie Vallet, 
Laurent Maron, Bernd Schimmelpfennig, Thierry Leininger,
Christian Teichteil, Odd Gropen, Ingmar Grenthe, and Ulf Wahlgren 

9290-9295
Adjusted Connection Atoms for Combined Quantum Mechanical and M
olecular Mechanical Methods 
Iris Antes and Walter Thiel 

9296-9306
Thermochemical Characterization of Seaborgium Compounds in Gas 
Adsorption Chromatography 
B. Eichler, A. Türler, and H. W. Gäggeler 

9307-9312
Validity of the Minimum Polarizability Principle in Molecular V
ibrations and Internal Rotations:  An ab Initio SCF Study 
Pratim K. Chattaraj, Patricio Fuentealba, Pablo Jaque, and 
Alejandro Toro-Labbé 

9313-9322
Valence State Atoms in Molecules. 5. Universal Scaling of the Inner 
Branch of Fifty RKR Potential Energy Curves. Comparison of the Valence State,
Morse, and Rydberg Curves  Devon O. Niel Gardner and László von Szentpály 

9323-9329
Ab Initio Molecular Orbital Study of the N(2D) + HCN(1<) Reaction 
Yuzuru Kurosaki and Toshiyuki Takayanagi 

9330-9335
Intramolecular Dihydrogen Bonding in Main Group Elements. Connection w
ith Dehydrogenation Reactions 
Sudhir A. Kulkarni 

9336-9344
Enthalpies of Formation of N-Substituted Pyrazoles and Imidazoles 
Otilia Mó and Manuel Yáñez 
, María Victoria Roux, Pilar Jiménez, and 
Juan Z. Dávalos, Manuel A. V. Ribeiro da Silva, 
Maria das Dores M. C. Ribeiro da Silva,M. Agostinha R. Matos, and 
Luisa M. P. F. Amaral, Ana Sánchez-Migallón 
, Pilar Cabildo and Rosa Claramunt, José Elguero 
, Joel F. Liebman 

9345-9348
Steric Course and Mechanism of the Water Exchange of the Ruthenium(III) 
Aqua Pentaammine Ion 
François P. Rotzinger 

9349-9354
Intersystem Crossings in Model Energetic Materials 
M. Riad Manaa and Laurence E. Fried 

9355-9358
A Density Functional Theory Study of the Gas-Phase Hydrolysis o
f Dinitrogen Pentoxide 
James A. Snyder, Denise Hanway, Julio Mendez, Alan J. Jamka, and 
Fu-Ming Tao 

9359-9363
Electronic and Geometrical Structure of the Sc[BO]+ Cation. 
An Ab Initio Investigation 
Aristotle Papakondylis and Aristides Mavridis 

9364-9369
The Radical Transformation in Artemisinin:  A DFT Study 
Jiande Gu, Kaixian Chen, Hualiang Jiang, and Jerzy Leszczynski 

9370-9377
An Efficient Deformation-Based Global Optimization Method (
Self-Consistent Basin-to-Deformed-Basin Mapping (SCBDBM)). Application to
Lennard-Jones Atomic Clusters  
Jarosaw Pillardy,  Adam Liwo, and Harold A. Scheraga 

9378-9382
Ground and Triplet Excited Structures and Spectroscopic Properties 
of Halogenated Zinc meso-Tetraphenylporphyrin 
Kiet A. Nguyen, Paul N. Day, and Ruth Pachter