Journal of Physical Chemistry A, 2004, V 108, N 35, 2 September.

LETTERS
    
 Understanding Copper-Based Atom-Transfer
 Radical Polymerization in Aqueous Media
Geraldine Coullerez, Anna Carlmark, 
Eva Malmstrom, and Mats Jonsson
pp 7129 - 7131;
 
Ultrafast Dynamics of Pyrene Excimer
Formation in Y Zeolites
Karen A. W. Y. Cheng, Norman P. Schepp,
and Frances L. Cozens
pp 7132 - 7134;
 
A Woodward-Hoffmann Approach to the C60
Cluster Opening Leading to Homo[60]fullerenes
Ewout Kemner, Andreas Hirsch, 
and Francesco Zerbetto
pp 7135 - 7138; 

ARTICLES

DYNAMICS AND RELAXATION 
 
Dynamical Solvent Control of Electron
Transfer in a Flexible, Tethered Donor-Acceptor Pair
Na'il Saleh and John F. Kauffman
pp 7139 - 7146; 
 
Rate Constant of Bimolecular Triplet Energy
Transfer from Chrysene in the Higher
Triplet Excited States
Xichen Cai, Masanori Sakamoto, 
Michihiro Hara, Sachiko Tojo, Kiyohiko Kawai, 
Masayuki Endo, Mamoru Fujitsuka, 
and Tetsuro Majima
pp 7147 - 7150; 

Molecular Dynamics Simulation Study of 
Ethylene Glycol, Ethylenediamine, and 
2-Aminoethanol. 1. The Local Structure 
in Pure Liquids
A. V. Gubskaya and P. G. Kusalik
pp 7151 - 7164; 
 
Molecular Dynamics Simulation Study of 
Ethylene Glycol, Ethylenediamine, and 
2-Aminoethanol. 2. Structure in 
Aqueous Solutions
A. V. Gubskaya and P. G. Kusalik
pp 7165 - 7178; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Matrix Photochemistry of the Chlorocarbonyl 
Sulfenyl Compounds ClC(O)SY, with Y = Cl or CH3
Rosana M. Romano, Carlos O. Della Vedova, 
and Anthony J. Downs
pp 7179 - 7187; 
 
Origin of Size-Dependent Reactivity of 
Nickel Cluster Ions with Methanol
Ramkuber T. Yadav, Masahiko Ichihashi,
and Tamotsu Kondow
pp 7188 - 7192; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Direct Measurement of the Fast, Reversible
Addition of Oxygen to Cyclohexadienyl 
Radicals in Nonpolar Solvents
James W. Taylor, Gerhard Ehlker, 
Hans-Heinrich Carstensen, Leah Ruslen, 
Robert W. Field, and William H. Green
pp 7193 - 7203; 
 
Rate Constant for the Reaction H + C2H5
at T = 150-295 K
Andre S. Pimentel, Walter A. Payne, 
Fred L. Nesbitt, Regina J. Cody, and Louis J. Stief
pp 7204 - 7210; 
 
What Influences Barrier Heights in
Hydrogen Abstraction from Thiols by 
Carbon-Centered Radicals? 
A Curve-Crossing Study
Kaitlin D. Beare and Michelle L. Coote
pp 7211 - 7221; 

MOLECULAR STRUCTURE, BONDING,
QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Theory of Vibrational Circular Dichroism 
and Infrared Absorption: Extension to 
Molecules with Low-Lying Excited Electronic States
Laurence A. Nafie
pp 7222 - 7231; 
 
Selenoxides Are Better Hydrogen-Bond 
Acceptors than Sulfoxides: a Crystallographic
Database and Theoretical Investigation
Eric Renault and Jean-Yves Le Questel
pp 7232 - 7240; 
 
Multiconfigurational Self-Consistent 
Field Study of the Excited State 
Properties of 4-Thiouracil in the Gas Phase
M. K. Shukla and Jerzy Leszczynski
pp 7241 - 7246;
 
Investigation of the Atmospheric 
Oxidation Pathways of Bromoform
and Dibromomethane: Initiation via
UV Photolysis and Hydrogen Abstraction
W. Sean McGivern, Hahkjoon Kim, 
Joseph S. Francisco, and Simon W. North
pp 7247 - 7252;
 
Fukui Indexes Applied to the Reduced and 
Nonreduced Species of the Nickel(II) 
Tetraazadinaphtho[14]annulene Complex
and Its Protonated Derivative
Angel Rios-Escudero, Juan Costamagna, 
and Gloria I. Cardenas-Jiron
pp 7253 - 7260; 

Solvation of Calcium Ion in Polar Solvents: 
An X-ray Diffraction and ab Initio Study
Tunde Megyes, Tamas Grosz, Tamas Radnai, 
Imre Bako, and Gabor Palinkas
pp 7261 - 7271; 
 
Vibrational Interactions in the Amide I 
Subspace of the Oligomers and 
Hydration Clusters of N-Methylacetamide
Hajime Torii
pp 7272 - 7280; 
 
Reactivity Indices for Radical Reactions
Involving Polyaromatics
Karen Hemelsoet, Veronique Van Speybroeck, 
Guy B. Marin, Frank De Proft, Paul Geerlings, 
and Michel Waroquier
pp 7281 - 7290;
 
Vibrational Frequencies of Amides and
Amide Dimers: The Assessment of 
PW91XC Functional
George V. Papamokos and Ioannis 
N. Demetropoulos
pp 7291 - 7300; 
 
Ab Initio Study of the Photochemistry
of c-C2H2Si
Masae Takahashi and Kenkichi Sakamoto
pp 7301 - 7305; 
  
Electronic States of TlX (X = As, Sb, Bi): 
A Configuration Interaction Study
Anjan Chattopadhyay and Kalyan Kumar Das
pp 7306 - 7317; 
 
W-Band 17O Pulsed Electron Nuclear 
Double Resonance Study of Gadolinium 
Complexes with Water
Arnold M. Raitsimring, Andrei V. Astashkin,
Debbie Baute, Daniela Goldfarb, 
and Peter Caravan
pp 7318 - 7323; 

GENERAL PHYSICAL CHEMISTRY 
 
Recognition of Biologically and Environmentally
Important Phosphate Anions by Calix[4]pyrrole: 
Thermodynamic Aspects
Angela F. Danil de Namor and Mohammed Shehab
pp 7324 - 7330; 
 
Hydrogen Bonding in ROH:R'OH (R, R' = H, CH3, C2H5)
Heterodimers: Matrix-Dependent Structure 
and Infrared-Induced Isomerization
S. Coussan, P. Roubin, and J. P. Perchard
pp 7331 - 7338;