Journal of Physical Chemistry A, V 108, N 47, November 25.

LETTERS 
 
Virial Expansion Providing of the Linearity
for a Unit Compressibility Factor
E. M. Apfelbaum, V. S. Vorob'ev, 
and G. A. Martynov
pp 10381 - 10385; 

ARTICLES
  
DYNAMICS AND RELAXATION 
 
Reducing Power of Photogenerated
 -Hydroxy Radicals. Proton-Coupled 
Electron Transfer
Deepak Shukla, Ralph H. Young, 
and Samir Farid
pp 10386 - 10394; 
 
Experimental Investigation by Laser
Flash Photolysis To Reveal the 
Optical and Electron-Donating 
Properties of Benzothiazole 
Derivatives and a Theoretical 
Approach by Using Time-Dependent 
Density Functional Theory
S. K. Pal, T. Sahu (nee Bhattacharya),
 T. Misra, P. K. Mallick, 
M. N. Paddon-Row, and T. Ganguly
pp 10395 - 10404; 
 
Remarkable Accelerating Effects 
of Ammonium Cations on Electron-Transfer
Reactions of Quinones by Hydrogen 
Bonding with Semiquinone Radical Anions
Ken Okamoto, Kei Ohkubo, Karl M. Kadish,
and Shunichi Fukuzumi
pp 10405 - 10413; 
 
Electron Photodetachment from Aqueous
Anions. 2. Ionic Strength Effect on 
Geminate Recombination Dynamics and
Quantum Yield for Hydrated Electron
Myran C. Sauer, Jr., Ilya A. Shkrob,
Rui Lian, Robert A. Crowell, 
David M. Bartels, Xiyi Chen, Diana Suffern,
and Stephen E. Bradforth
pp 10414 - 10425; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Conformational Behavior of Serine: 
An Experimental Matrix-Isolation FT-IR 
and Theoretical DFT(B3LYP)/6-31++G** Study
Bert Lambie, Riet Ramaekers, and Guido Maes
pp 10426 - 10433; 
 
Gas-Phase Reactions of O- and 
OH-Containing Cr Cluster Ions with 
Ethylene Molecules: Isolation of 
Reaction Sites of Cr-Containing 
Catalysts for Ethylene Polymerization
Tetsu Hanmura, Masahiko Ichihashi, 
Takashi Monoi, Kazuo Matsuura, 
and Tamotsu Kondow
pp 10434 - 10440
 
Infrared Spectroscopic Studies of Mono-, 
Di-, and Trihydrido C-H Insertion 
Complexes Formed in Reaction of 
Ethylene with Laser-Ablated Hafnium 
Atoms and Isolated in a Solid Argon Matrix
Han-Gook Cho and Lester Andrews
pp 10441 - 10447; 
 
Gas-Phase Complexes Containing 
the Uranyl Ion and Acetone
Michael J. Van Stipdonk, Winnie Chien,
Victor Anbalagan, Kellis Bulleigh, 
Dorothy Hanna, and Gary S. Groenewold
pp 10448 - 10457; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Reactions of Methyl- and Ethylperoxy 
Radicals with NO Studied by Time-Resolved
Negative Ionization Mass Spectrometry
Jia-Hua Xing, Yoko Nagai, Masayuki Kusuhara,
and Akira Miyoshi
pp 10458 - 10463
 
Temperature-Dependent Kinetics of the 
Gas-Phase Reactions of OH with Cl2, CH4, and C3H8
Mikhail G. Bryukov, Vadim D. Knyazev, 
Slawomir M. Lomnicki, Cheri A. McFerrin,
and Barry Dellinger
pp 10464 - 10472; 
 
Interaction of Gas-Phase Ozone at 296 K 
with Unsaturated Self-Assembled Monolayers:
A New Look at an Old System
Yael Dubowski, John Vieceli, Douglas J. Tobias,
Anthony Gomez, Ao Lin, Sergey A. Nizkorodov, 
Theresa M. McIntire, and Barbara J. Finlayson-Pitts
pp 10473 - 10485; 
 
Experimental and Theoretical Studies
 on the Complex Formed between H2S and O2-
Andrew J. Bell and Timothy G. Wright
pp 10486 - 10490; 
 
Effect of Diffusional Film on 
Formation of Hydrogen Peroxide 
in Photocatalytic Reactions
Fumihide Shiraishi and Chinami Kawanishi
pp 10491 - 10496
 
Accurate Determination of the 
Absolute Quantum Yield for O(1D)
Formation in the Photolysis of 
Ozone at 308 nm
Kenshi Takahashi, Shinsuke Hayashi,
Takayuki Suzuki, and Yutaka Matsumi
pp 10497 - 10501; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Clusters of II-VI Materials: 
CdiXi, X = S, Se, Te, i  16
Jon M. Matxain, Jose M. Mercero,
 Joseph E. Fowler, and Jesus M. Ugalde
pp 10502 - 10508; 

Electron Delocalization in Aminoguanidine:
A Computational Study
P. V. Bharatam, P. Iqbal, A. Malde, 
and R. Tiwari
pp 10509 - 10517; 
 
Accurate Energies and Structures for 
Large Water Clusters Using the X3LYP
Hybrid Density Functional
Julius T. Su, Xin Xu, and 
William A. Goddard III
pp 10518 - 10526; 

AIM Studies on Reactions FNCX
FXCN (X = O, S, and Se)
Yanli Zeng, Shijun Zheng, 
and Lingpeng Meng
pp 10527 - 10534; 
 
First-Principles Infrared Spectrum
of Nitric Acid and Nitric 
Acid Monohydrate Crystals
Delia Fernandez-Torre, Rafael Escribano,
Tom Archer, J. M. Pruneda,
and Emilio Artacho
pp 10535 - 10541; 
 
Molecular Modeling Studies 
on the Photochemical Stability 
of Azo Dyes
John O. Morley, Owen J. Guy,
and Michael H. Charlton
pp 10542 - 10550; 

A Solid-State NMR and Computational
Study of Sodium and Potassium 
Tetraphenylborates: 23Na and 
39K NMR Signatures for Systems 
Containing Cation- Interactions
Alan Wong, Robert D. Whitehead, 
Zhehong Gan, and Gang Wu
pp 10551 - 10559; 
 
Optimization of Structures and 
LJ Parameters of 
1-Chloro-1,2,2-trifluorocyclobutane
and 1,2-Dichlorohexafluorocyclobutane
Alexander C. Saladino and Pei Tang
pp 10560 - 10564; 
 
Electronic Spectra and DFT 
Calculations of Hexanuclear 
Chalcocyanide Rhenium Clusters
S. G. Kozlova, S. P. Gabuda, 
K. A. Brylev, Yu. V. Mironov, 
and V. E. Fedorov
pp 10565 - 10567; (
 
Push-Pull Electronic Effects 
in Charge-Transfer Complexes:
The Case of N-H and N-Me Lactams
A. El Firdoussi, M. Esseffar,
W. Bouab, J.-L. M. Abboud, 
O. Mo, and M. Yanez
pp 10568 - 10577; 
 
Computational Investigation
of the Solvation of Nitric 
Acid: Formation of the NO3- 
and H3O+ Ion Pair
Jill R. Scott and J. B. Wright
pp 10578 - 10585; 
 
Direct Combined ab Initio/Transition
State Theory Study of the Kinetics
of the Abstraction Reactions 
of Halogenated Methanes with H
ydrogen Atoms
Florent Louis, Carlos A. Gonzalez, 
and Jean-Pierre Sawerysyn
pp 10586 - 10593; 

Jahn-Teller Effect versus Spin-Orbit 
Coupling in X2E CH3S: An ab Initio
Study by the Equation-of-Motion 
Coupled Cluster Method and 
Multiconfiguration Quasi-Degenerate
 Second-Order Perturbation Theory
Aleksandr V. Marenich and James E. Boggs
pp 10594 - 10601; 
 
Theoretical Study on Structures and
 Stabilities of [H3,Si,C,N] Isomers
Qiang Wang, Yi-hong Ding, and Chia-chung Sun
pp 10602 - 10608;  
 
Key Role of a Threefold State Crossing
in the Ultrafast Decay of Electronically
Excited Cytosine
Lluis Blancafort, and Michael A. Robb
pp 10609 - 10614; 

COMMENTS
  

Comment on "Kinetics and Mechanism
of Nitrite Oxidation by HOBr/BrO- 
in Atmospheric Water and Comparison
with Oxidation by HOCl/ClO-"
Robert H. Becker, Kara E. Huff Hartz,
and Dale W. Margerum
pp 10615 - 10616; 
 
Reply to "Comment on 'Kinetics and 
Mechanism of Nitrite Oxidation 
by HOBr/BrO- in Atmospheric Water and
Comparison with Oxidation by HOCI/CIO-' "
Nazafarin Lahoutifard and Susannah L. Scott
pp 10617 - 10618;