Journal of Physical Chemistry, 2002, V. 106, N 49, December 12.

ARTICLES

DYNAMICS AND RELAXATION

Photodissociation Dynamics of Propiolic Acid at 193 nm: The State Distribution 
of the Nascent OH Product
Awadhesh Kumar, Hari P. Upadhyaya, Prakash D. Naik, Dilip K. Maity,
and Jai P. Mittal
pp 11847 - 11854; 

Ionic and Neutral Species in Pulse Radiolysis of Supercritical CO2. 1. Transient 
Absorption Spectroscopy, Electric Field Effect, and Charge Dynamics
Ilya A. Shkrob, Myran C. Sauer, Jr., Charles D. Jonah, and Kenji Takahashi
pp 11855 - 11870; 

Ionic Species in Pulse Radiolysis of Supercritical Carbon Dioxide. 2. Ab Initio 
Studies on the Structure and Optical Properties of (CO2)n+, (CO2)2-, and CO3- 
Ions
Ilya A. Shkrob
pp 11871 - 11881; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Hot and Cold Clusters: Photodissociation of Sr+(CH3OD)n through Vibrationally 
Excited Intermediates
James I. Lee and James M. Farrar
pp 11882 - 11890; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Kinetics and Mechanism of Nitrite Oxidation by HOBr/BrO- in Atmospheric Water 
and Comparison with Oxidation by HOCl/ClO-
Nazafarin Lahoutifard, Philippe Lagrange, Janine Lagrange, and Susannah L. Scott
pp 11891 - 11896; 

Bonding and Correlation Analysis of Various SiCO Isomers
Yuxiang Bu and Keli Han
pp 11897 - 11910; 

Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly 
Vibrationally Excited
L. Zhang and A. J. C. Varandas
pp 11911 - 11916; 

Reaction of O2+ + C8H10 (Ethylbenzene) as a Function of Pressure and 
Temperature: A Study of the Collisional Stabilization of the Reactant 
Intermediate
A. A. Viggiano, Thomas M. Miller, Skip Williams, Susan T. Arnold,
 John V. Seeley, and Jeffrey F. Friedman
pp 11917 - 11922; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Problematic Energy Differences between Cumulenes and Poly-ynes: Does This Point 
to a Systematic Improvement of Density Functional Theory?
H. Lee Woodcock, Henry F. Schaefer, III, and Peter R. Schreiner
pp 11923 - 11931; 

Theory of the Salt Effect on Solvatochromic Shifts And Its Potential Application 
to the Determination of Ground-State and Excited-State Dipole Moments
Willem H. Mulder and Cyril Pa'rka'nyi
pp 11932 - 11937; 

Theoretical Study of Global and Local Charge Transfer Descriptors Applied to the 
Interaction of Cobalt Phthalocyanine with 2-Mercaptoethanol and Cobalt 
Phthalocyanine with Pyridine in the Gas Phase
Gloria I. Ca'rdenas-Jiro'n and Diego A. Venegas-Yazigi
pp 11938 - 11944; 

Hard Bends Soft: Bond Angle and Bending Force Constant Predictions for 
Dihalides, Dihydrides, and Dilithides of Groups 2 and 12
La'szlo' von Szentpa'ly
pp 11945 - 11949; 

Quantum Chemical Calculations on Novel Molecules from Xenon Insertion into 
Hydrocarbons
Jan Lundell, Arik Cohen, and R. Benny Gerber
pp 11950 - 11955; 

Crystal and Molecular Structures of New Chromone Derivatives as Empirical 
Evidence of Intramolecular Proton Transfer Reaction; Ab Initio Studies on 
Intramolecular H-Bonds in Enaminones
Agnieszka J. Rybarczyk-Pirek, Sawomir J. Grabowski, Magdalena Maecka,
and Jolanta Nawrot-Modranka
pp 11956 - 11962; 

New Density Functional and Atoms in Molecules Method of Computing Relative pKa 
Values in Solution
Kenneth R. Adam
pp 11963 - 11972; 

Theoretical Study of Structure and Raman Spectra for Models of Carbon Nanotubes 
in Their Pristine and Oxidized Forms
Stephan Irle, Alf Mews, and Keiji Morokuma
pp 11973 - 11980; 

Thermochromism in Oligothiophenes: The Role of the Internal Rotation
Nuran Elmaci and Ersin Yurtsever
pp 11981 - 11986; 

GENERAL PHYSICAL CHEMISTRY

First Observation of Monomer and Dimer Radical Cation upon Photoreduction of 
Cyanopyridinium Derivatives in Solution by Electron Spin Resonance and 
Absorption Spectroscopy
Sang Hyun Park, Hideki Kawai, and Toshihiko Nagamura
pp 11987 - 11991; 

ADDITIONS AND CORRECTIONS


Infrared Frequency-Modulation Probing of Cl + C3H4 (Allene, Propyne) Reactions: 
Kinetics of HCl Production from 292 to 850 K
J. T. Farrell and C. A. Taatjes:
pp 11992 - 11992;