Journal of Physical Chemistry , 2004, V 108, N 12, March 25.

ARTICLES

PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES 
 
Quantum Wave Packet Studies of the C(1D) + H2  
CH + H Reaction: Integral Cross Section and Rate Constant
Shi Ying Lin and Hua Guo
pp 2141 - 2148;  
 
Doublet-Quartet Intersystem Crossing and Electron 
Transfer of Cobalt(II) Moieties in [LRuIII(L-L)CoIIL]5+ 
(L = 2,2':6',2' '-Terpyridine and L-L = A Bridging Ligand)
Akio Yoshimura, Hiroaki Torieda, and Takeshi Ohno
pp 2149 - 2154; 
 
Intramolecular Fluorescence Quenching of 
Tyrosine by the Peptide -Carbonyl Group Revisited
Melinda Noronha, Joao C. Lima, Pedro Lamosa, 
Helena Santos, Christopher Maycock, Rita Ventura, 
and Antonio L. Macanita
pp 2155 - 2166; 
 
Calculation of Free Energy Profiles for Elementary
Bimolecular Reactions by ab Initio Molecular Dynamics: 
Sampling Methods and Thermostat Considerations
Evan Kelly, Michael Seth, and Tom Ziegler
pp 2167 - 2180; 

PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES 
 
Laser Spectroscopy of Cyanoacetylene-Mgn Complexes
in Helium Nanodroplets: Multiple Isomers
F. Dong and R. E. Miller
pp 2181 - 2191;  

STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER 
 
Mass Spectrometric and Computational Studies of 
Heterofullerenes ([C58Pt]-, [C59Pt]+) Obtained by
Laser Ablation of Electrochemically Deposited Films
Akari Hayashi, Yongming Xie, Josep M. Poblet, 
Josep M. Campanera, Carlito B. Lebrilla, and Alan L. Balch
pp 2192 - 2198; (
 
Intramolecular Hydrogen Bonding and Double 
H-Atom Transfer in Peroxy and Alkoxy Radicals
from Isoprene
Theodore S. Dibble
pp 2199 - 2207; 
 
Prompt Chemistry of Alkenoxy Radical 
Products of the Double H-Atom Transfer 
of Alkoxy Radicals from Isoprene
Theodore S. Dibble
pp 2208 - 2215;  
 
Mixing of the Organic Aerosol Fractions: 
Liquids as the Thermodynamically Stable Phases
Claudia Marcolli, Beiping Luo, and Thomas Peter
pp 2216 - 2224; 
 
Turing Instability in Inhomogeneous Arrays 
of Diffusively Coupled Reactors
Werner Horsthemke and Peter K. Moore
pp 2225 - 2231; 
 
Time-Resolved Experiments on the 
Chlorine Atom Initiated Oxidation of 
Tetrachloroethene (Cl2C=CCl2)
Rouslan V. Olkhov and Ian W. M. Smith
pp 2232 - 2237;
 
Oxide Radical Anion Reactivity with Aliphatic 
Amino Compounds in Aqueous Solution:
Comparison of H-Atom ion from C-H and
N-H Groups by O- and OH Radicals
David A. Armstrong, Klaus-Dieter Asmus, 
and Marija Bonifaic
pp 2238 - 2246; 
 
Mechanism and Kinetics of Photoisomerization
of a Cyclic Disulfide, trans-4,5-Dihydroxy-1,2-dithiacyclohexane
Lorena B. Barron, Kenneth C. Waterman,
Piotr Filipiak, Gordon L. Hug, Thomas Nauser, 
and Christian Schoneich
pp 2247 - 2255; 

BIOPHYSICAL CHEMISTRY 
 
Theoretical Investigation of Jahn-Teller Dynamics in
the 2E' Electronic Ground State of the Cyclopropane Radical Cation
T. S. Venkatesan, S. Mahapatra, L. S. Cederbaum, 
and H. Koppel
pp 2256 - 2267; 
 
Theoretical Study of the Straight-Chain C4H7 
Radical Isomers and Their Dissociation and 
Isomerization Transition States
Johanna L. Miller
pp 2268 - 2277; 
 
Transient [8]Annulenyl Carbanion from
the Anion Radical of Bromo-[8]annulene
Cheryl D. Stevenson, Matthew K. Kiesewetter, 
and Steven J. Peters
pp 2278 - 2283; 
 
The Atmospheric Reaction between 
DMSO and the Chlorine Radical
Solange Vandresen and Stella M. Resende
pp 2284 - 2289; 
 
Theoretical Possibility of the Variety of 
Ground-State Spin Arrangements Created
by the Spin Hole and Spin Cap in a -Conjugated System
Ikuya Hagiri, Norihiko Takahashi, and Kyozaburo Takeda
pp 2290 - 2304; 
 
Bonding Properties of the Water Dimer: 
A Comparative Study of Density Functional Theories
Xin Xu and William A. Goddard III
pp 2305 - 2313;
 
Theoretical Study of the Low Lying Electronic 
States of oxoX(salen) (X = Mn, Mn-, Fe, and Cr-) 
Complexes
Joseph Ivanic, Jack R. Collins, and Stanley K. Burt
pp 2314 - 2323;
 
Charge Separation and Charge Distribution
in Rearrangement Reactions of -(Phosphatoxy)alkyl 
Radicals
Y. Wang, S. Grimme, and H. Zipse
pp 2324 - 2331;
 
 
Rotational Barriers, Charges, and Spin Densities
in Alkyl Aryl Sulfide Radical Cations: 
A Density Functional Study
Enrico Baciocchi and Maria Francesca Gerini
pp 2332 - 2338;
 
Theoretical Study of the Fast Photodissociation
Channels of the Monohalobenzenes
Ya-Jun Liu, Petter Persson, and Sten Lunell
pp 2339 - 2345; 

GENERAL PHYSICAL CHEMISTRY 
 
Fluorescence Studies of Salicylic Acid Doped
Poly(vinyl alcohol) Film as a Water/Humidity Sensor
H. Mishra, V. Misra, M. S. Mehata, 
T. C. Pant, and H. B. Tripathi
pp 2346 - 2352; 
 
Mechanism of UV-Induced Conformational Changes
among Enol-Type Isomers of (Trifluoroacetyl)acetone 
Studied by Low-Temperature Matrix-Isolation
Infrared Spectroscopy and Density Functional Theory Calculation
Yukiko Minoura, Naoko Nagashima, 
Satoshi Kudoh, and Munetaka Nakata
pp 2353 - 2362;