Journal of Physical Chemistry, 2003, Vol. 107, No. 5, 6 February.

ARTICLES

DYNAMICS AND RELAXATION

Velocity Distributions of SiF and SiF2 in an SiF4 Plasma Molecular Beam
Jianming Zhang, Keri L. Williams, and Ellen R. Fisher
pp 593 - 597; 

Electron Spin-Lattice Relaxation Processes of Radicals in Irradiated Crystalline 
Organic Compounds
James R. Harbridge, Sandra S. Eaton, and Gareth R. Eaton
pp 598 - 610; 

Effects of Solvent and Structural Dynamics on Electron Transfer Reactions of 4-
Aminonaphthalene-1,8-dicarboximide Donor-Acceptor Molecules in Nematic Liquid 
Crystals and Isotropic Solvents
Louise E. Sinks and Michael R. Wasielewski
pp 611 - 620; 

Nonadiabatic Dynamics: A Comparison of Surface Hopping Direct Dynamics with 
Quantum Wavepacket Calculations
Graham A. Worth, Patricia Hunt, and Michael A. Robb
pp 621 - 631; 

Solute Dependence of Three Pulse Photon Echo Peak Shift Measurements in Methanol 
Solution
Yutaka Nagasawa, Ayako Watanabe, Hiroko Takikawa, and Tadashi Okada
pp 632 - 641; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

IR Spectroscopy of OP-X and Derivatives: Mistaken Identity on a Large Scale
Evan G. Robertson and Don McNaughton
pp 642 - 650; 

The Nitric Acid Hydrates: Ab Initio Molecular Study, and RAIR Spectra of the Solids
R. Escribano, M. Couceiro, P. C. Go'mez, E. Carrasco, M. A. Moreno, and V. J. Herrero
pp 651 - 661; 

Spectroscopic Characteristics of Pentacene In Shpol'skii Matrixes
M. Banasiewicz, I. Deperasiska, and B. Kozankiewicz
pp 662 - 667; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Enthalpy Barriers for Asymmetric SN2 Alkyl Cation Transfer Reactions between
Neutral and Protonated Alcohols
Travis D. Fridgen and Terry B. McMahon
pp 668 - 675; 

Reaction of Peroxyl Radicals with Ozone in Water
Johan Lind, Ga'bor Mere'nyi, Erik Johansson, and Tore Brinck
pp 676 - 681; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Systematic Comparisons between Broken Symmetry and Symmetry-Adapted Approaches 
to Transition States by Chemical Indices: A Case Study of the Diels-Alder Reactions
Hiroshi Isobe, Yu Takano, Yasutaka Kitagawa, Takashi Kawakami, Syusuke Yamanaka, 
Kizashi Yamaguchi, and K. N. Houk
pp 682 - 694; 

Response Reactions: A Mathematical Well-Defined Way to Obtain Accurate 
Thermochemistry from ab Initio Calculations
Ilie Fishtik, Ravindra Datta, and Joel F. Liebman
pp 695 - 705; 

Theoretical Analysis and Numerical Simulation of Intramolecular Barriers in 
Polyphenyl-Based Molecular Devices
M. Girlanda and M. Macucci
pp 706 - 711;  

Electric Quadrupole and Hexadecapole Moment, Dipole and Quadrupole 
Polarizability, Second Electric Dipole Hyperpolarizability for P2, and a 
Comparative Study of Molecular Polarization in N2, P2, and As2
George Maroulis and Demetrios Xenides
pp 712 - 719; 

Theoretical Study of Molecular Structure and Gas-Phase Acidity of Some 
Biologically Active Sulfonamides
Milan Remko
pp 720 - 725; 

A Solid-State Multinuclear Magnetic Resonance Investigation of 
Hexamethylborazine
Michelle A. M. Forgeron, David L. Bryce, Roderick E. Wasylishen,
and Roland Ro"sler
pp 726 - 735; 

Implicit Zero-Point Vibration Energy and Thermal Corrections in Rapid Estimation 
of Enthalpies of Formation from Hartree-Fock Total Energy and Partial Charges
Adrienn Ruzsinszky, Christian Van Alsenoy, and Ga'bor I. Csonka
pp 736 - 744; 

GENERAL PHYSICAL CHEMISTRY

Reactivities of Some Electrogenerated Organic Cation Radicals in Room-
Temperature Ionic Liquids: Toward an Alternative to Volatile Organic Solvents?
C. Lagrost, D. Carrie', M. Vaultier, and P. Hapiot
pp 745 - 752; 

Precise Equilibrium Constants from Spectrophotometric Data: BrCl in Br2/Cl2 Gas 
Mixtures
Joel Tellinghuisen
pp 753 - 757; 

Structural XAFS Investigation of Eu2+ and Sr2+ Poly(amino carboxylates): 
Consequences for Water Exchange Rates on MRI-Relevant Complexes
Gilles Moreau, La'szlo' Burai, Lothar Helm, Juris Purans, and Andre' E. Merbach
pp 758 - 769;  

ADDITIONS AND CORRECTIONS


Electronic Communication in Fullerene Dimers. Electrochemical and Electron 
Paramagnetic Resonance Study of the Reduction of C120O.
Alan L. Balch, David A. Costa, W. Ronald Fawcett,and, and Krzysztof Winkler:
pp 770 - 770;