Journal of Physical Chemistry, 2002, V 106, N 30, August 1.

LETTERS

Nuclear Field Shift Effect in the Isotope Exchange Reaction of Chromium(III)
 Using a Crown Ether
Toshiyuki Fujii, Daisuke Suzuki, Katsubumi Gunji, Kazuo Watanabe,
Hirotake Moriyama, and Kazushige Nishizawa
pp 6911 - 6914; 

ARTICLES

DYNAMICS AND RELAXATION

A Direct ab-Initio Trajectory Study on the Ionization Dynamics of the
Water Dimer
Hiroto Tachikawa
pp 6915 - 6921; 

Solvation Dynamics in Dipolar-Quadrupolar Mixtures: A Computer Simulation
Study of Dipole Creation in Mixtures of Acetonitrile and Benzene
Branka M. Ladanyi and Baw-Ching Perng
pp 6922 - 6934; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Preresonance Raman Spectrum of the C13H9 Fluorene-like Radical
Jan Szczepanski, John Banisaukas, Martin Vala, So Hirata, and William R. Wiley
pp 6935 - 6940; 

Ionization and Dissociation Energies of Group 13 Metal Complexes with Group
15 Hydrides
Shenggang Li, Gretchen K. Rothschopf, Bradford R. Sohnlein, and Dong-Sheng Yang
pp 6941 - 6944; 

Infrared Spectra and Density Functional Theory Calculations of Group 6 
Transition Metal Sulfides in Solid Argon
Binyong Liang and Lester Andrews
pp 6945 - 6951; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Computational Study of the Mechanism and Product Yields in the Reaction Systems
C2H3 + CH3  C3H6  H + C3H5 and C2H3 + CH3  CH4 + C2H2
Stanislav I. Stoliarov, Vadim D. Knyazev, and Irene R. Slagle
pp 6952 - 6966; 

Monotonic Increase of Nitrite Yields in the Photolysis of Nitrate in Ice and 
Water between 238 and 294 K
Yael Dubowski, A. J. Colussi, Christopher Boxe, and M. R. Hoffmann
pp 6967 - 6971; 

A Theoretical Study of the Interaction of HCl with Crystalline NAT
Yves A. Mantz, Franz M. Geiger, Luisa T. Molina, Mario J. Molina,
and Bernhardt L. Trout
pp 6972 - 6981; 

Influence of Diffusion on the Kinetics of Donor-Acceptor Electron Transfer 
Monitored by the Quenching of Donor Fluorescence
V. S. Gladkikh, A. I. Burshtein, H. L. Tavernier, and M. D. Fayer
pp 6982 - 6990; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Quantitative Correlation of Raman Spectral Indicators in Determining 
Conformational Order in Alkyl Chains
Christopher J. Orendorff, Michael W. Ducey, Jr., and Jeanne E. Pemberton
pp 6991 - 6998; 

Exploration of the Four-Dimensional-Conformational Potential Energy
Hypersurface of N-Acetyl--aspartic Acid N'-Methylamide with Its Internally 
Hydrogen Bonded Side-Chain Orientation
Joseph C. P. Koo, Gregory A. Chass, Andras Perczel, ?don Farkas,
Ladislaus L. Torday, Andras Varro, Julius Gy. Papp, and Imre G. Csizmadia
pp 6999 - 7009; 

Hydrogen Bonding Abilities of Thioamide
Ho-Jin Lee, Young-Sang Choi, Kang-Bong Lee, Jeunghee Park, and Chang-Ju Yoon
pp 7010 - 7017; 

A Simple Method for Estimating Activation Energies of Proton-Transfer Reactions
Davide Alfano, Raffaele Borrelli, and Andrea Peluso
pp 7018 - 7025; 

Qualitative Characterization of the P-C Bonds in Ylides of Phosphorus
Petar M. Mitrasinovic
pp 7026 - 7033; 

Model Chemistry Methods for Molecular Dications: The Magnesium Dication
Affinity Scale
Simon Petrie
pp 7034 - 7041; 

Structure and Stability of B5, B5+, and B5- Clusters
Qian Shu Li and Hong Wei Jin
pp 7042 - 7047; 

Current Densities of Localized and Delocalized Electrons in Molecules
E. Steiner, P. W. Fowler, and R. W. A. Havenith
pp 7048 - 7056; 

Theoretical Study of the Reaction XY4 = XY3+Y, Where X = C, Si, Ge, Sn, Pb and
Y = CH3, C2H5
Wuichung Lie, Dmitri G. Fedorov, and Kimihiko Hirao
pp 7057 - 7061; 

Free-Ion Yield and Electron Mobility in Liquid Hydrocarbons: A Consistent 
Correlation
Asokendu Mozumder
pp 7062 - 7067; 

GENERAL PHYSICAL CHEMISTRY

Photophysical and Photochemical Behavior of the Three Conformational Isomers
of trans-1,2-di(2-Naphthyl)ethene in Nonpolar Solvent
G. Bartocci and A. Spalletti
pp 7068 - 7074; 

COMMENTS

Comment on A Linear Chemical Cycle and Oscillations
Peter Ruoff
pp 7075 - 7075; 

Comment on: "Reactions of Phenyl Cations with Methanol and Methyl Fluoride"
Maurizio Speranza
pp 7076 - 7077; 

Reply to Comment on "Reactions of Phenyl Cations with Methanol and Methyl 
Fluoride"
Igor S. Ignatyev and Tom Sundius
pp 7078 - 7079;  

Comment on "Belousov-Zhabotinsky Oscillations in Bromate-Oxalic
Acid-MnSO4-H2SO4-Acetone System in Nonionic Surfactant Medium. A Calorimetric 
Study" 
L'ubica Adam?kov?, Zuzana Farbulov?, and Peter ev?k
pp 7080 - 7080; 

Reply to the Comments by L'. Adamikov?, Z. Farbulov? and P. evik on
"Belousov-Zhabotinsky Oscillations in Bromate-Oxalic Acid-MnSO4-H2SO4-Acetone 
System in Nonionic Surfactant Medium. A Calorimetric Study".
Sudeshna Biswas, Kallol Mukherjee, Dulal Chandra Mukherjee, and Satya Priya 
Moulik
pp 7081 - 7081; 

ADDITIONS AND CORRECTIONS


Corrected Rate Constants for Collision-Induced Electronic Transitions from
the N2 a1g ( = 0 and 1) Levels.
Murthy S. Gudipati and Daniel H. Katayama
pp 7082 - 7082;