Journal of Physical Chemistry A, 2003, V. 107, No. 29, 24 July.

LETTERS

 
Energy Transfer in Dye-Doped Mesostructured Composites
Brian J. Scott, Michael H. Bartl, Gernot Wirnsberger, and Galen D. Stucky
pp 5499 - 5502;  
 
 
Ultrasonic Emulsification of Liquid, Near-Critical Carbon 
Dioxide-Water Biphasic Mixtures for Acceleration of a Hydrolysis Reaction
Michael T. Timko, Jason M. Diffendal, Jefferson W. Tester, 
Kenneth A. Smith, William A. Peters, Rick L. Danheiser, 
and Jeffrey I. Steinfeld
pp 5503 - 5507; 
 

ARTICLES

DYNAMICS AND RELAXATION 
 
Femtosecond Pump-Probe Studies of Dichlorine Monoxide in Solution
Catherine C. Cooksey and Philip J. Reid
pp 5508 - 5514;   
 
 
Strong Inhibition of Singlet Oxygen Sensitization in 
Pyridylferrocene-Fluorinated Zinc Porphyrin Supramolecular Complexes
Yukiyasu Kashiwagi, Hiroshi Imahori, Yasuyuki Araki, 
Osamu Ito, Koji Yamada, Yoshiteru Sakata, and Shunichi Fukuzumi
pp 5515 - 5522; 
 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
New Quasi-solid Materials as a Medium for Photochemical Reactions
Kazuhisa Suzuki, Hidenobu Shiroishi, Mikio Hoshino, and Masao Kaneko
pp 5523 - 5527;  
 
 
Gas-Phase Hydration and Alcohol Addition Reactions of Complexes
Composed of Ag+ and a Single Alcohol Molecule
Dorothy Hanna, Manohari Silva, Jennifer Morrison, Sammer Tekarli,
Victor Anbalagan, and Michael Van Stipdonk
pp 5528 - 5537;   
 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Electronic Spectra, Excited-State Geometries, 
and Molecular Electrostatic Potentials of Hypoxanthine:
A Theoretical Investigation
M. K. Shukla and Jerzy Leszczynski
pp 5538 - 5543;  
 
 
Stereoelectronic Interactions and Molecular Properties. 
An NBO-Based Study of Uracil
Eduardo M. Sproviero and Gerardo Burton
pp 5544 - 5554; 
 
 
Ab Initio Studies of Borazine and Benzene Cyclacenes 
and Their Fluoro-Substituted Derivatives
Kian Ping Loh, S. W. Yang, J. M. Soon, H. Zhang, and P. Wu
pp 5555 - 5560;   
 
 
Theoretical Study of [N3X]+ (X = O, S, Se, Te) Systems
Qian Shu Li and Li Ping Cheng
pp 5561 - 5565;  
 
 
Multireference Correlation Calculations for the Ground 
States of VO+/0/- Using Correlation Consistent Basis Sets
Mikhail Pykavy and Christoph van Wullen
pp 5566 - 5572; 
 
 
Effects of Substitution on the Singlet-Triplet Energy 
Splittings and Ground-State Multiplicities of 
m-Phenylene-Based Diradicals: A Density Functional Theory Study
Ganbing Zhang, Shuhua Li, and Yuansheng Jiang
pp 5573 - 5582;   
 
 
Relativistic DFT Calculations of Copper Hyperfine 
Coupling Constants: Effect of Spin-Orbit Coupling
Alexander C. Saladino and Sarah C. Larsen
pp 5583 - 5587; 
 
 
A Theoretical Study on the Relationship between 
Nucleophilicity and Ionization Potentials in Solution Phase
R. Contreras, J. Andres, V. S. Safont, P. Campodonico, and J. G. Santos
pp 5588 - 5593;  
 
 
Molecular Study on the Enantiomeric Relationships of 
Carvedilol Fragment A, 4-(2-Hydroxypropoxy)carbazol, 
along with Selected Analogues
David R. P. Almeida, Donna M. Gasparro, 
Luca F. Pisterzi, Ladislaus L. Torday, Andras Varro, 
Julius Gy. Papp, Botond Penke, and Imre G. Csizmadia
pp 5594 - 5610; 
 
An Assessment of the Accuracy of Multireference 
Configuration Interaction (MRCI) and Complete-Active-Space 
Second-Order Perturbation Theory (CASPT2)
for Breaking Bonds to Hydrogen
Micah L. Abrams and C. David Sherrill
pp 5611 - 5616; 
 
 
Heats of Formation of Alkali Metal and Alkaline Earth 
Metal Oxides and Hydroxides: Surprisingly Demanding 
Targets for High-Level ab Initio Procedures
Michael B. Sullivan, Mark A. Iron, Paul C. Redfern, 
Jan M. L. Martin, Larry A. Curtiss, and Leo Radom
pp 5617 - 5630;   
 
 
Reactivity of Ebtellur Derivatives with the Peroxynitrite 
Anion: Comparison with Their Ebselen Analogues
Yukiko Sakimoto, Kimihiko Hirao, and Djamaladdin G. Musaev
pp 5631 - 5639;  

COMMENTS
 
 
Comment on "On the Evidence Obtained by Exciting 
7-Azaindole at 320 nm in 10-2 M Solutions"
Pi-Tai Chou, Yi-Ming Cheng, Wei-Shan Yu, and Shih-Chieh Pu
pp 5640 - 5641; 
 
 
Reply to Comment on "On the Evidence Obtained by 
Exciting 7-Azaindole at 320 nm in 10-2 M Solutions"
J. Catalan
pp 5642 - 5642;