The Journal of Physical Chemistry A, 2000, V 104, N 8, 2 March.

LETTERS

 1617-1620 
Halogen Bonding in Fluoroalkylhalides: A Quantum Chemical Study
of Increasing Fluorine Substitution 
Gabriele Valerio, Guido Raos, Stefano V. Meille, Pierangelo Metrangolo, 
and Giuseppe Resnati 


ARTICLES

 1621-1626 
Reduction of the Aqueous Mercuric Ion by Sulfite: UV Spectrum
of HgSO3 and Its Intramolecular Redox Reaction 
Lisa Van Loon, Elizabeth Mader, and Susannah L. Scott 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 1627-1639 
Raman Spectroscopic Measurements of Scandium(III) Hydration in
Aqueous Perchlorate Solution and ab Initio Molecular Orbital
Studies of Scandium(III) Water Clusters: Does Sc(III) Occur as
a Hexaaqua Complex? 
Wolfram W. Rudolph and Cory C. Pye

1640-1647 
Characterization of the Reaction Products of Laser-Ablated
Lanthanide Metal Atoms with Molecular Hydrogen. Infrared
Spectra of LnH, LnH2, LnH3, and LnH4 Molecules in Solid Argon
Stephen P. Willson and Lester Andrews 

 1648-1655 
Reactions of Laser-Ablated Ga, In, and Tl Atoms with Nitrogen
Atoms and Molecules. Infrared Spectra and Density Functional
Calculations of GaN, NGaN, NInN, and the M3N and MN3 Molecules
Mingfei Zhou and Lester Andrews 

 1656-1661 
Reactions of Laser-Ablated Aluminum Atoms with Nitrogen Atoms
and Molecules. Infrared Spectra and Density Functional
Calculations for the AlN2, Al2N, Al2N2, AlN3, and Al3N
Molecules 
Lester Andrews, Mingfei Zhou, George V. Chertihin,
and William D. Bare , Yacine Hannachi 

 1662-1669 
Time-Resolved EPR and Optical Studies of Intermoiety
Interactions in the Lowest Triplet State of L-Shaped Dimers of
Naphthalene: Conformation Dependence of Excitation Exchange
Interaction 
Masahide Terazima, Jianjian Cai, and Edward C. Lim

1670-1673 
Infared Stimulated Emission of N2O Trapped in Argon Matrices:
Comparison with O3 and CO2 
H. Chabbi, P. R. Dahoo, B. Gauthier-Roy, A.-M. Vasserot, 
and L. Abouaf-Marguin

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 1674-1685 
Reaction of HO2 with ClO: Flow Tube Studies of Kinetics and
Product Formation between 215 and 298 K 
G. P. Knight, T. Beiderhase, F. Helleis, G. K. Moortgat, and 
J. N. Crowley

1686-1691 
Spur Decay of the Solvated Electron in Picosecond Radiolysis
Measured with Time-Correlated Absorption Spectroscopy 
David M. Bartels, Andrew R. Cook, Mohan Mudaliar, and Charles D. Jonah

1692-1699 
Infrared Absorption Cross-Section Measurements for Nitrous Acid
(HONO) at Room Temperature 
William S. Barney, Lisa M. Wingen, Matthew J. Lakin, Theo Brauers, 
Jochen Stutz, and Barbara J.Finlayson-Pitts 

 1700-1707 
Kinetic and Modeling Studies of the Reaction of Hydroxyl
Radicals with Tetrachloroethylene 
LeAnn B. Tichenor, John L. Graham, Takahiro Yamada, and 
Philip H. Taylor , Jingping Peng, Xiaohua Hu, and Paul Marshall 

 1708-1714
Temperature-Dependent Quenching Rate Constants of NF(a)
Gerald C. Manke II, Thomas L. Henshaw, Timothy J. Madden, and
Gordon D. Hager 

 1715-1719 
Diffusion of H2SO4 in Humidified Nitrogen: Hydrated H2SO4 
D. R. Hanson and F. Eisele 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 1720-1735 
Frontier Bonds in QM/MM Methods: A Comparison of Different
Approaches 
Nathalie Reuter, Annick Dejaegere, Bernard Maigret,
and Martin Karplus 

 1736-1747
 A Novel Energy Partition for Gaining New Insight into
Aromaticity and Conjugation 
Zhong-Heng Yu, Zheng-Qian Xuan, Tong-Xin Wang, and Hai-Min Yu 

 1748-1761 
An Accurate Description of the Bergman Reaction Using
Restricted and Unrestricted DFT: Stability Test, Spin Density,
and On-Top Pair Density 
Jürgen Gräfenstein, Angelica M. Hjerpe, Elfi Kraka,
and Dieter Cremer 

 1762-1768 
Low Frequency Raman Active Vibrations in Fullerenes. 1.
Monopolar Modes Hans-Jürgen Eisler, 
Stefan Gilb, Frank H. Hennrich, and Manfred M. Kappes 

 1769-1773 
Low Frequency Raman Active Vibrations in Fullerenes. 2.
Quadrupolar Modes Hans-Jürgen Eisler, Frank H. Hennrich, Stefan
Gilb, and Manfred M. Kappes 

 1774-1778 
A Thermochemical and Theoretical Study of the Phenylpyridine
Isomers 
M. A. V. Ribeiro da Silva, M. A. R. Matos, and C. A. Rio , 
V. M. F. Morais , J. Wang, G. Nichols, and J. S. Chickos

1779-1794 
Properties of Atoms in Molecules: Atoms Forming Molecules Jesús
Hernández-Trujillo and Richard F. W. Bader