The Journal of Physical Chemistry A, 1999, V 103, N 44, 4 November.

LETTERS



8747-8752
Isolation and Characterization by 13C NMR Spectroscopy of 
[84]Fullerene Minor Isomers 
T. John S. Dennis, Tsutomu Kai, Kumiko Asato, Tetsuo Tomiyama, and 
Hisanori Shinohara , Takuya Yoshida and Yuji Kobayashi, Hironobu Ishiwatari, 
Yoko Miyake, Koichi Kikuchi, and Yohji Achiba 


ARTICLES



SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


8753-8761
Proton-Assisted Hydration at Hydrophobic Sites in Protonated Ether and 
Keto Dimers 
Ina Hahndorf, Jyh-Chiang Jiang, Hai-Chou Chang, Chi-Che Wu, and Huan-Cheng Chang 

8762-8771
Overtone Investigation of Methyl-Substituted Pyridines 
Robert J. Proos and Bryan R. Henry 

8772-8776
Far-Infrared and Raman Spectra of the Ring-Puckering Vibration of 
2,3-Dihydrothiophene. One- and Two-Dimensional Potential Energy Surfaces 
and the Barrier to Planarity 
Timothy Klots , Eugene Bondoc and Joan Laane 

8777-8791
Modeling Internal Energy Distributions in Ion Clusters:  Comparison between 
Experiment and Simulations 
Orlando M. Cabarcos, Corey J. Weinheimer, and James M. Lisy 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


8792-8798
Reactions of Mixed PbM+/Methanol Clusters 
P. E. Barran, V. Mikhailov, and A. J. Stace 

8799-8802
Kinetic Isotope Effects of Proton Transfer Reaction for Amines by Ultrasonic 
Relaxation Methods:  Unexpected Evidence from the Results in Ethylamine 
Solutions 
Hua Huang and Sadakatsu Nishikawa, Shaojun Dong 

8803-8811
Shock-Tube Studies on the Reactions of CF2(XA1) 
with O(3P) and H Atoms 
Yasuyuki Yamamori, Kazuo Takahashi, and Tadaaki Inomata 

8812-8823
Uptake of Gas-Phase Ammonia. 1. Uptake by Aqueous Surfaces as a Function of pH 
Q. Shi and P. Davidovits, J. T. Jayne, D. R. Worsnop, and C. E. Kolb 

8824-8833
Uptake of Gas-Phase Ammonia. 2. Uptake by Sulfuric Acid Surfaces 
E. Swartz, Q. Shi, and P. Davidovits, J. T. Jayne, D. R. Worsnop, and C. E. Kolb 

8834-8839
Generation, Characterization, and Deprotonation of Phenol Radical Cations 
T. A. Gadosy,,2a,b D. Shukla,2a and L. J. Johnston,2a 

8840-8846
High-Level ab Initio and Density Functional Theory Evaluation of Combustion 
Reaction Energetics:  NO2 and HONO Elimination from Dimethylnitramine 
Michael A. Johnson and Thanh N. Truong 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


8847-8852
The Hammond Postulate and the Principle of Maximum Hardness in Some 
Intramolecular Rearrangement Reactions 
Miquel Solà , Alejandro Toro-Labbé 

8853-8860
Protonation and Deprotonation Enthalpies of Guanine and Adenine and Implications for
the Structure and Energy of Their Complexes with Water:  Comparison with Uracil,
Thymine, and Cytosine 
Asit K.Chandra, Minh Tho Nguyen, Tadafumi Uchimaru, and Thérèse Zeegers-Huyskens 

8861-8869
Monohydride and Monofluoride Derivatives of B, Al, N and P. Theoretical Study 
of Their Ability as Hydrogen Bond Acceptors 
Isabel Rozas, Ibon Alkorta, and José Elguero 

8870-8874
Orbital-Based Interpretation of Electron Density Differences in Ne2 
and Polarized Ne and Ne6+ 
Terry S. Carlton and Tuan N. Nguyen 

8875-8878
Potential Curves for the Mg+Rn Complex Including Charge-Transfer States 
P. A. Christiansen and T. M. Moffett, G. A. DiLabio 

8879-8884
Theoretical Study of the Alkaline Hydrolysis of an Oxo-Lactam Structure 
Miguel Coll, Juan Frau, Bartolomé Vilanova, Josefa Donoso, 
Francisco Muñoz, and Francisco García Blanco 

8885-8889
Tetramethyleneethane (TME) Diradical:  Experiment and Density Functional 
Theory Reach an Agreement 
Michael Filatov and Sason Shaik 

8890-8894
Density Functional Theory Studies of Hexamethylene Triperoxide Diamine 
Andrzej Wierzbicki and Eugene Cioffi 

8895-8905
Pathways for the Reaction of the Butadiene Radical Cation, 
[C4H6]>+, with Ethylene 
Matthias Hofmann and Henry F. Schaefer, III 



COMMENTS



8906-8907
Product Branching Ratios in the NH2 + NO Reaction:  
A Re-Evaluation 
J. Park and M. C. Lin 



ADDITIONS AND CORRECTIONS



8908-8908
Ab Initio Study of the Reactions between a Series of Substituted Singlet 
Nitrenium Ions and Water 
Manuel Marquez, Frank Marí, and Carlos A.Gonzalez: 

8908-8908
The Standard Enthalpy of Formation of the 1-Adamantyl Cation in the Gas Phase. 
An Experimental and ab Initio Re-assessment 
H. Flores, J. Z. Dávalos, J.-L. M. Abboud, O. Castaño,
R. Gomperts, P. Jiménez, R. Notario, and M. V. Roux: