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;