The Journal of Physical Chemistry A, 2001, V 105, N 42, 25 October.

LETTERS 

9625-9627 
Organometallic Complexes for Nonlinear Optics. 24. Reversible Electrochemical 
Switching of Nonlinear Absorption 
Marie P. Cifuentes, Clem E. Powell, Mark G. Humphrey, Graham A. Heath,
Marek Samoc, and Barry Luther-Davies 

ARTICLES 

DYNAMICS AND RELAXATION

9628-9636 
Specific Solvent Effects on the Structure and Reaction Dynamics of Benzophenone 
Ketyl Radical Akio Kawai, Makoto Hirakawa, Toyohiko Abe, Kinichi Obi, and 
Kazuhiko Shibuya 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

9637-9642 
Excitation Energies and Molecular Quantum Defect Orbital Transition Intensities 
for Rydberg States of Ar
H I. Martin, C. Lavin, and Y. Perez-Delgado , J. Pitarch-Ruiz and J. Sanchez-Marin 

9643-9648 
Photodissociation Studies of M(Furan)+ (M = Cu, Ag, and Au) and Au(C3H4)+ Complexes 
Po-Hua Su, Fang-Wei Lin, and Chen-Sheng Yeh 

9649-9658 
Intracluster Electron Transfer and Reactions in Alkali Metal-Methacrylate Clusters 
Hironori Tsunoyama, Keijiro Ohshimo, Fuminori Misaizu, and Koichi Ohno 

9659-9663 
Pure Rotational Spectrum and Structure of Platinum Monocarbonyl, PtCO 
Corey J. Evans and Michael C. L. Gerry 

9664-9673 
A Theoretical Insight into the Photophysics of Acridine 
Oscar Rubio-Pons, Luis Serrano-Andres, and Manuela Merchan 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 

9674-9680 
On-Contact Quenching of 1-Naphtholate by Geminate Protons
Ehud Pines, Ben-Zion Magnes, and Tamar Barak 

9681-9688 
Gas-Phase Condensation Reactions of SixOyHz- Oxyanions with H2O 
G. S. Groenewold, J. R. Scott, A. K. Gianotto, B. D. M. Hodges, G. F. Kessinger, 
and M. T. Benson , J. B. Wright 

9689-9696 
The Wavelength Dependence of the Photodissociation of Propionaldehyde in the 280-330 nm Region 
Yunqing Chen and Lei Zhu 

9697-9703 
A Temperature-Dependent Kinetics Study of the Important Stratospheric Reaction O(3P) + NO2 O2 + NO 
E. G. Estupinan, J. M. Nicovich, and P. H. Wine 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 

9704-9709 
Hydration and Entropy Model for Ionic and Covalent Monatomic Ions 
Francois H. David and Valery Vokhmin 

9710-9716 
Magnetic Exchange Interactions in Oxo-Bridged Diiron(III) Systems: Density 
Functional Calculations Coupling the Broken Symmetry Approach 
Zhida Chen, Zhitao Xu, Lei Zhang, Feng Yan, and Zhenyang Lin 

9717-9724 
Quantum Mechanical Study of the Competitive Hydration between Protonated 
Quinazoline and Li+, Na+, and Ca2+ Ions 
Phillip Sawunyama and George W. Bailey 

9725-9735 
Enhanced Stability of Non-Proton-Transferred Clusters of Hydrated Hydrogen 
Fluoride HF(H2O)n (n = 1-7): A Molecular Orbital Study 
Suyong Re 

9736-9747 
The Theoretical Prediction of Molecular Radical Species: a Systematic Study of 
Equilibrium Geometries and Harmonic Vibrational Frequencies 
Edward F. C. Byrd, C. David Sherrill, and Martin Head-Gordon 

9748-9755 
Second-Order ab Initio Mller-Plesset Study of Optimum Chain Length for Total 
(Electronic Plus Vibrational) (-;1,2) of a Prototype Push-Pull Polyene 
Denis Jacquemin, Benoit Champagne, Eric A. Perpete, Josep M. Luis, and Bernard Kirtman 

9756-9759 
In Situ X-ray Diffraction Measurements of the Self-Preservation Effect of CH4 Hydrate 
Satoshi Takeya, Wataru Shimada, Yasushi Kamata, Takao Ebinuma, Tsutomu Uchida, 
Jiro Nagao, and Hideo Narita 

9760-9775 
A Systematic Density Functional Theory Study of VxOy+ and VxOY (X = 2-4, Y = 2-10) Systems 
Monica Calatayud, Juan Andres, and Armando Beltran

9776-9780 
Theoretical Study of the Structural and Fluxional Behavior of Copper(I)-Octahydrotriborate Complex 
C. Serrar, A. Es-sofi, A. Boutalib, A. Ouassas, and A. Jarid , I. Nebot-Gil and F. Tomas 

9781-9787 
X-ray Emissin Studies of the Valence Band of Nanodiamonds Annealed at Different Temperatures
 A. V. Okotrub, L. G. Bulusheva, V. L. Kuznetsov, Yu. V. Butenko, A. L. Chuvilin, and M. I. Heggie 

9788-9794 
Electronic Spectra of 2,2'-Bithiophene and 2,2':5',2' '-Terthiophene Radical 
Cations: A Theoretical Analysis 
Mercedes Rubio, Enrique Orti, Rosendo Pou-Amerigo, and Manuela Merchan 

9795-9799 
Can Absolute Free Energies of Association Be Estimated from Molecular Mechanical 
Simulations? The Biotin-Streptavidin System Revisited
Surjit B. Dixit and Christophe Chipot 

9800-9812 
Theoretical Study of Photoionization Processes in Fe(C5H5)2 
G. Fronzoni, P. Colavita, M. Stener, G. De Alti, and P. Decleva