Journal of Physical Chemistry A, 2004, V 108, N 30, July 29.

ARTICLES

DYNAMICS AND RELAXATION 
 
Dissociation Dynamics of Difluoroacetic Acid
from the Ground and Excited Electronic States
Awadhesh Kumar, Hari P. Upadhyaya, 
and Prakash D. Naik
pp 6257 - 6264;  
 
Excited-State Dynamics of trans- and 
cis-Azobenzene after UV Excitation in the * Band
H. Satzger, C. Root, and M. Braun
pp 6265 - 6271;

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Reactions of Laser-Ablated Palladium and Platinum
Atoms with Ethylene: An Infrared Study of the 
Palladium Complex and Platinum Insertion 
Product Isolated in Solid Argon
Han-Gook Cho and Lester Andrews
pp 6272 - 6278; 
 
Two-Photon Absorption Cross Sections of
trans-Stilbene, and 7,8-Disubstituted Stilbenes 
in Different Molecular Conformations: 
A Model Exact Study
Prakash Chandra Jha, Mousumi Das, 
and S. Ramasesha
pp 6279 - 6285; 
 
Ab Initio Study of the Torsional Spectrum 
of Glycolaldehyde
M. L. Senent
pp 6286 - 6293;  
 
Photoreversible Hydrogen Migration System 
in a Solid Argon Matrix Formed by the 
Reaction of Methyl Fluoride with 
Laser-Ablated Titanium Atoms
Han-Gook Cho and Lester Andrews
pp 6294 - 6301; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Kinetics of HCl Uptake on Ice at 190 and 203 K: 
Implications for the Microphysics of the Uptake Process
Thomas Huthwelker, Maria E. Malmstrom,
Frank Helleis, Geert K. Moortgat, and Thomas Peter
pp 6302 - 6318; 
 
A Novel Use of Negative Ion Mobility Spectrometry for
Measuring Electron Attachment Rates
Mahmoud Tabrizchi and Azra Abedi
pp 6319 - 6324; 
 
Atmospheric Chemistry of n-CxF2x+1CHO (x = 1, 3, 4):
Mechanism of the CxF2x+1C(O)O2 + HO2 Reaction
M. P. Sulbaek Andersen, C. Stenby, O. J. Nielsen, 
M. D. Hurley, J. C. Ball, T. J. Wallington, J. W. Martin,
D. A. Ellis, and S. A. Mabury
pp 6325 - 6330; 
 
Spectral, Kinetic, and Theoretical Studies of 
Sulfur-Centered Reactive Intermediates 
Derived from Thioethers Containing an Acetyl Group
Nicolas Varmenot, Jacqueline Berges, 
Zohreh Abedinzadeh, Anthony Scemama, 
Grazyna Strzelczak, and Krzysztof Bobrowski
pp 6331 - 6346;

Formation of Iodine Monoxide Radical from
the Reaction of CH2I with O2
Shinichi Enami, Junya Ueda, Masashi Goto,
Yukio Nakano, Simone Aloisio, Satoshi Hashimoto, 
and Masahiro Kawasaki
pp 6347 - 6350;

MOLECULAR STRUCTURE, BONDING, 
QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Local Effective Crystal Field Combined with Molecular
Mechanics. Improved QM/MM Junction and
Application to Fe(II) and Co(II) Complexes
M. B. Darkhovskii and A. L. Tchougreeff
pp 6351 - 6364; 
 
Restricted Conformational Flexibility of Furanose
Derivatives: Ab Initio Interpretation of Their Nuclea
r Spin-Spin Coupling Constants
Petr Bou, Ivan Raich, Jakub Kaminsk, Richard Hrabal,
Jan ejka, and Vladimir Sychrovsk
pp 6365 - 6372; 
 
Ab Initio Ionization Energy Thresholds of DNA and
RNA Bases in Gas Phase and in Aqueous Solution
Carlos E. Crespo-Hernandez, Rafael Arce, 
Yasuyuki Ishikawa, Leonid Gorb, Jerzy Leszczynski, 
and David M. Close
pp 6373 - 6377; 
 
Adsorption of O, OH, and H2O on Pt-Based
Bimetallic Clusters Alloyed with Co, Cr, and Ni
Perla B. Balbuena, Diego Altomare, 
Nagendra Vadlamani, Sridhar Bingi, 
Luis A. Agapito, and Jorge M. Seminario
pp 6378 - 6384; 
 
Influence of s and d Orbital Occupation on
the Binding of Metal Ions to Imidazole
N. S. Rannulu, R. Amunugama, 
Zhibo Yang, and M. T. Rodgers
pp 6385 - 6396; 
 
5fN-5fN-16d1 Transitions of U3+ and 
U4+ Ions in High-symmetry Sites
Mirosaw Karbowiak and Janusz Drodyski
pp 6397 - 6406; 
 
Theoretical Determination of Activation 
Free Energies for Alkaline Hydrolysis of 
Cyclic and Acyclic Phosphodiesters 
in Aqueous Solution
Xi Chen and Chang-Guo Zhan
pp 6407 - 6413; 

Density Functional Theory Study of the 
Hydrogen Bonding Interaction of 1:1 
Complexes of Formamide with Glycine
Yun Shi, Zheng-yu Zhou, and Hai-tao Zhang
pp 6414 - 6420; 
 
Structure and Properties of the Open-Chain
Calcium-Doped Carbon Clusters CaCn, 
CaCn+, and CaCn- (n = 1-8)
Antonio Largo, Pilar Redondo, 
and Carmen Barrientos
pp 6421 - 6429; 
 
An Integrated Molecular Orbital + Molecular 
Orbital (IMOMO) Study of the O + H-R  
OH + R Reaction Class
Qian Shu Li, Qinghua Zhao, 
and Shaowen Zhang
pp 6430 - 6436; 
 
Electronic Population on Tungsten,
Molybdenum, and Vanadium Atoms and 
183W, 95Mo, and 51V NMR in Polyoxometalates
Leonid P. Kazansky and Toshihiro Yamase
pp 6437 - 6448;