Journal of Physical Chemistry A, 2003, V. 107, No. 33, 21 August.

LETTERS
 
Photophysical Properties of 3,3'-Diethylthiacarbocyanine
Iodide in Binary Mixtures
N. Kh. Petrov, M. N. Gulakov, M. V. Alfimov, G. Busse,
B. Frederichs, and S. Techert
pp 6341 - 6344;  

ARTICLES
 
DYNAMICS AND RELAXATION 
 
Structure and Dynamics of Bis(triphenylphosphine)-3,
6-di-tert-butyl-o-semiquinone Radical Anion Complexes of Ag+ and Cu+
Rakhim R. Rakhimov, Tamika N. Hawkins, Jimmy S. Hwang, 
Alexander I. Prokof'ev, and Aleksey I. Aleksandrov
pp 6345 - 6350;   
 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Conformational Behavior of Cyanoacetic Acid: A Combined Matrix
Isolation Fourier Transform Infrared Spectroscopy and Theoretical Study
Igor D. Reva, Stepan G. Stepanian, Ludwik Adamowicz, and Rui Fausto
pp 6351 - 6359; 
 
 
A Theoretical Study on the Reactions of Hg with Halogens: 
Atmospheric Implications
Alexei F. Khalizov, Balakrishnan Viswanathan, 
Pascal Larregaray, and Parisa A. Ariya
pp 6360 - 6365; 
 
Importance of the Reference Spectrum on Generalized 
Two-Dimensional Correlation Spectroscopy: Relation between 
Intensity Variations and Synchronism
Thierry Lefevre and Michel Pezolet
pp 6366 - 6372;   
 
 
Proton-Transfer Processes in Thiourea: UV Induced Thione  
Thiol Reaction and Ground State Thiol  Thione Tunneling
Hanna Rostkowska, Leszek Lapinski, Artem Khvorostov, and Maciej J. Nowak
pp 6373 - 6380; 
 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Temperature and Pressure Dependence Study of the Reaction of 
IO Radicals with Dimethyl Sulfide by Cavity Ring-Down Laser Spectroscopy
Yukio Nakano, Shinichi Enami, Shinji Nakamichi, Simone Aloisio, 
Satoshi Hashimoto, and Masahiro Kawasaki
pp 6381 - 6387;   
 
 
Uptake of Gas-Phase Species by 1-Octanol. 1. Uptake of -Pinene,
-Terpinene, p-Cymene, and 2-Methyl-2-hexanol as a Function 
of Relative Humidity and Temperature
H. Z. Zhang, Y. Q. Li, J. R. Xia, P. Davidovits, 
L. R. Williams, J. T. Jayne, C. E. Kolb, and D. R. Worsnop
pp 6388 - 6397;  
 
 
Uptake of Gas-Phase Species by 1-Octanol. 2. Uptake of Hydrogen 
Halides and Acetic Acid as a Function of Relative Humidity and Temperature
H. Z. Zhang, Y. Q. Li, P. Davidovits, L. R. Williams, 
J. T. Jayne, C. E. Kolb, and D. R. Worsnop
pp 6398 - 6407;   
 
 
Theoretical Study of the Alkoxy Radicals Derived from Isoprene: 
Pressure- and Temperature-Dependent Decomposition Rates
Jiho Park, Joseph C. Stephens, Renyi Zhang, and Simon W. North
pp 6408 - 6414; 
 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Ultrasonic Relaxation Due to Complexation Reaction between 
-Cyclodextrin and Alkylammonium Ions
Sadakatsu Nishikawa, Kyohei Yamaguchi, and Takanori Fukahori
pp 6415 - 6418;  
 
 
Conformational Study of Glycine Amide Using Density 
Functional Theory
Ping Li, Yuxiang Bu, and Hongqi Ai
pp 6419 - 6428;   
 
 
Electronegativity, Resonance, and Steric Effects and the 
Structure of Monosubstituted Benzene Rings: An ab Initio MO Study
Anna Rita Campanelli, Aldo Domenicano, and Fabio Ramondo
pp 6429 - 6440;   
 
 
Cooperative Hydrogen-Bonding in Adenine-Thymine and 
Guanine-Cytosine Base Pairs. Density Functional 
Theory and Mller-Plesset Molecular Orbital Study
Amparo Asensio, Nadya Kobko, and J. J. Dannenberg
pp 6441 - 6443;  
 
 
Theoretical Study of the Initial Decomposition Process 
of the Energetic Material Urea Nitrate
Yuji Kohno, Osamu Takahashi, Reiko I. Hiyoshi, 
Jun Nakamura, and Ko Saito
pp 6444 - 6450;  
 
 
Structure, Intramolecular Rotation Barrier, and 
Thermochemical Properties of Hydroxycyclohexadienyl Radical
Chiung-Chu Chen, Tsan H. Lay, and Joseph W. Bozzelli
pp 6451 - 6456; 
 
Dehydrogenation and Other Non-radiative Relaxation 
Processes in Gas-Phase Metal-DNA Base Complexes
David B. Pedersen, Marek Z. Zgierski, and Benoit Simard
pp 6457 - 6463;  
 
 
Stabilization of an Unusual Tautomer of Guanine: 
Photoionization of Al-Guanine and Al-Guanine-(NH3)n
David B. Pedersen, Benoit Simard, Ana Martinez, 
and Anastassiia Moussatova
pp 6464 - 6469;   
 
 
Analysis of Aromatic Delocalization: Individual Molecular 
Orbital Contributions to Nucleus-Independent Chemical Shifts
Thomas Heine, Paul v. Rague Schleyer, Clemence Corminboeuf, 
Gotthard Seifert, Roman Reviakine, and Jacques Weber
pp 6470 - 6475;    
 
Ab Initio and DFT Study of All Mono-, Di-, Tri-, and
Tetrafluoropyrroles and Their Cations: Predicting 
Structural, Spectroscopic, Electropolymerization, 
and Electrochemical Properties
Hassan Sabzyan and Abdollah Omrani
pp 6476 - 6482;  
 
 
A Class IV Charge Model for Boron Based on Hybrid 
Density Functional Theory
Joseph M. Brom, Brian J. Schmitz, Jason D. Thompson, 
Christopher J. Cramer, and Donald G. Truhlar
pp 6483 - 6488;   
 
 
The Electronic Spectra of CH2XOH (X = F, Cl, Br): A Comparative Study
Melanie Schnell, Max Muhlhauser, Antonija Lesar, 
and Sigrid D. Peyerimhoff
pp 6489 - 6494;   
 
 
Is the Hyperpolarizability of Cu2 Negative? A Study of Basis
Set and Electron Correlation Effects
George Maroulis
pp 6495 - 6499;  
 

GENERAL PHYSICAL CHEMISTRY 
 
Matrix Isolation and Theoretical Study of the Photochemical 
Reaction of PH3 with OVCl3 and CrCl2O2
David A. Kayser and Bruce S. Ault
pp 6500 - 6505; 

ADDITIONS AND CORRECTIONS
  
 
2003, Volume 107A Intramolecular Interactions in Diiodonaphthalenes
Igor Novak, Huiming Jiang, and Branka Kova:
pp 6506 - 6506;