The Journal of Physical Chemistry A, 2002, V 106, N 1, January 10.

DYNAMICS AND RELAXATION

1-11
The Nature of the Intramolecular Charge Transfer Excited State in p-
Pyrrolocyanobenzene (PBN) and Other Derivatives
of Benzene Substituted by Electron Donor and Acceptor Groups 
Shmuel Zilberg and Yehuda Haas 

12-20
Long Distance Photoinduced Electron Transfer in Solutions: A Mechanism for 
Producing Large Yields of Free Ion
s by Electron Transfer Quenching 
Jinwei Zhou, Roshan P. Shah, Bret R. Findley, and Charles L. Braun 

21-31
Intra- and Intermolecular Photoinduced Energy and Electron Transfer between 
Oligothienylenevinylenes and N-Methylfulleropyrrolidine 
Joke J. Apperloo, Corinne Martineau, Paul A. van Hal, Jean Roncali, and Rene' A. J. Janssen 

32-34
Cooperative Salt Bridge Stabilization of Gas-Phase Zwitterions in Neutral 
Arginine Clusters 
Ryan R. Julian, J. L. Beauchamp, and William A. Goddard III 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

35-40
Photoabsorption of Nitrous Oxide through Rydberg States in the Bound and 
Continuum Spectral Regions: Main Ionization 
Channels E. Bustos, A. M. Velasco, I. Marti'n, and C. Lavi'n 

41-50
Conformational and Infrared Spectral Studies of L-Methionine and Its N-
Deuterated Isotopomer as Isolated Zwitterions
Xiaolin Cao and Gad Fischer

51-62
Dynamic Effects on the Powder Line Shapes of Half-Integer Quadrupolar Nuclei:
A Solid-State NMR Study of XO4- Groups 
Robert W. Schurko, Sungsool Wi, and Lucio Frydman 

63-73
Vibrational and Electronic Spectroscopy of the Fluorene Cation 
Jan Szczepanski, John Banisaukas, and Martin Vala , So Hirata and Rodney J. 
Bartlett , Martin Head-Gordon 

74-82
Pulsed EPR Characterization of the Low-Spin Iron(III) Porphyrinate Complexes 
with Phenyl Isocyanide Ligands Having the dxy Orbital Ground State 
Andrei V. Astashkin, Arnold M. Raitsimring, Abigail R. Kennedy, 
Tatjana Kh. Shokhireva, and F. Ann Walker

83-91
Insertion of the Al Atom into Alkyl Ethers: Semiempirical SCF MO and Matrix 
Isolation ESR Study
Paul H. Kasai 

92-95
Infrared Spectrum of the Hyponitrite Dianion, N2O22-, Isolated and Insulated 
from Stabilizing Metal Cations in Solid Neon 
Lester Andrews, Xuefeng Wang, Mingfei Zhou, and Binyong Liang 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

96-103
Size-Selected Nanoparticle Chemistry: Kinetics of Soot Oxidation 
Kelly J. Higgins, Heejung Jung, David B. Kittelson, Jeffrey T. Roberts, and 
Michael R. Zachariah 

104-107
Sonolytic Degradation of Phthalic Acid Esters in Aqueous Solutions. Acceleration 
of Hydrolysis by Sonochemical
Action Bongbeen Yim, Yoshio Nagata, and Yasuaki Maeda

108-114
Transient Negative Species in Supercritical Carbon Dioxide: Electronic Spectra 
and Reactions of CO2 Anion Clusters
Kenji Takahashi, Sadashi Sawamura, Nada M. Dimitrijevic, David M. Bartels, and 
Charles D. Jonah 

115-121
Ab Initio and Kinetic Calculation for the Abstraction Reaction of Atomic O(3P) 
with SiH4
Qingzhu Zhang, Shaokun Wang, Jianhua Zhou, and Yueshu Gu 

122-129
Ab Initio and Kinetic Calculations for the Reactions of H with (CH3)(4-n)GeHn
 (n = 1, 2, 3, 4) 
Qingzhu Zhang, Dongju Zhang, Shaokun Wang, and Yueshu Gu 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

130-148
Molecular Dynamics Simulation of Methanolic and Ethanolic Silica-Based Sol-Gel 
Solutions at Ambient Temperature and Pressure 
J. C. G. Pereira, C. R. A. Catlow, and G. D. Price

149-156
Transformation and Structure of Cation Radicals in L- 
 -
Alanine T. L. Petrenko

157-164
The Relationship between Binding Models of TMA with Furan and Imidazole and the 
Molecular Electrostatic Potentials: DFT and MP2 Computational Studies
Tong Liu, Jiande Gu, Xiao-Jian Tan, Wei-Liang Zhu, Xiao-Min Luo, Hua-Liang 
Jiang, Ru-Yun Ji, Kai-Xian Chen, Israel Silman, and Joel L. Sussman 

165-169
Following Reaction Pathways Using a Damped Classical Trajectory Algorithm 
H. P. Hratchian and H. B. Schlegel 

170-175
Density Functional Theory Analysis of Nickel Octaethylporphyrin Ruffling
Lindy K. Stoll, Marek Z. Zgierski, and Pawel M. Kozlowski 

176-180
Reaction Cross Sections and Rate Constants for the Cl + H2 Reaction from 
Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces
Changsheng Shen, Tao Wu, Guanzhi Ju, and Wensheng Bian 

181-183
Direct Investigation of the Validity of Vertical Approximation in the 
Calculation of Transition Moment Matrix Elements:
n   * Transition in Methyl Formate 
Alexandre B. Rocha, Andre' S. Pimentel, and Carlos E. Bielschowsky 

184-199
Hydrolysis, Solvation, and Reduction of SO3, S2O6, ClO3(OH), Cl2O7, and ArO4-
Relating Chemical Propertie s to the Instability of S=O, Cl=O, and Ar=O
Groups J. R. Tobias Johnson , Itai Panas

GENERAL PHYSICAL CHEMISTRY

200-208
Stopped-Flow and DFT Studies of Proton Transfer and Isomerization of
 5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine
and Its Related Base 2-(5-Amino-3,4-dicyano-2H-pyrrol-2-ylidene)-1,1,2-
tricyanoethanide in Water: A Completely Sorted out Square Scheme 
Edmond Collange, Alberto Flamini, and Rinaldo Poli

209-214
Photocyclization/Cycloreversion Quantum Yields of Diarylethenes in Single Crystal s 
Katsunori Shibata, Keishi Muto, Seiya Kobatake, and Masahiro Irie