The Journal of Physical Chemistry A, 2000, V 104, N 48, 7 December.


LETTERS

11257-11260 LaO+: A Diatomic Cation with a Sizable Proton Affinity upon Generation of the LaOH2+ Dication Detlef Schröder, Helmut Schwarz, and Jeremy N. Harvey 11261-11264 Internal Energy Dependence of the H + Allene/H + Propyne Product Branching from the Unimolecular Dissociation of 2-Propenyl Radicals Julie A. Mueller, Johanna L. Miller, and Laurie J. Butler , Fei Qi, Osman Sorkhabi, and Arthur G.Suits
ARTICLES

DYNAMICS AND RELAXATION
11265-11269 Time-Resolved Thermally Activated Delayed Fluorescence in C70 and 1,2-C70H2 Sergei M. Bachilo, Angelo F. Benedetto, R. Bruce Weisman, Jamie R. Nossal, and W. Edward Billups 11270-11277 Acid-Base Equilibrium and Electron-Ejection Processes in the Excited States of N,N-Dimethyl-1-aminonaphthalene in Aqueous Solution So Tajima, Seiji Tobita, and Haruo Shizuka 11278-11281 Field-Dependent Relaxation and Molecular Reorientation of C60 in Chlorobenzene Ned H. Martin, Mervat H. Issa, Robert A. McIntyre, and A. A. Rodriguez
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
11282-11289 Model for Spectral Artifacts in Two-Dimensional Four-Wave Mixing Spectra from Absorption and Refractive Index Dispersion at Infrared Resonances David E. Thompson and John C. Wright 11290-11296 Structural Characterization of Clusters Formed from Alkyl Nitriles and the Methyl Cation Jeff W. Denault, Feng Wang, R. Graham Cooks, Fabio C. Gozzo, and Marcos N. Eberlin 11297-11303 Calculated CH-Stretching Overtone Spectra of Naphthalene, Anthracene and Their Cations Henrik G. Kjaergaard, Timothy W. Robinson, and Karleen A. Brooking 11304-11309 Lowest Excited Triplet State of Naphthalene by Transient Polarized Resonance Raman, Matrix-Isolation Infrared, and Density-Functional-Theory Methods Munetaka Nakata, Satoshi Kudoh, and Masao Takayanagi , Taka-aki Ishibashi , Chihiro Kato
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
11310-11317 tmospheric Oxidation Mechanism of Methyl Propionate F. Cavalli, I. Barnes, and K. H. Becker , T. J. Wallington 11318-11327 Reactions of Ar+ with Selected Volatile Organic Compounds. A Flowing Afterglow and Selected Ion Flow Tube Study Michael H. Cohen, Cynthia Barckholtz, Brian T. Frink, Joshua J. Bond, C. Michael Geise, Jerry Hoff, John Herlinger, Tom Hickey, and Christopher M. Hadad 11328-11331 Kinetics and Mechanism of the Reaction of Cl Atoms with Nitrobenzene L. Fr[Image]sig, O. J. Nielsen, and M. Bilde , T. J. Wallington , J. J. Orlando and G. S. Tyndall 11332-11339 Reduction of Cobalt and Iron Phthalocyanines and the Role of the Reduced Species in Catalyzed Photoreduction of CO2 J. Grodkowski, T. Dhanasekaran, and P. Neta , P. Hambright , B. S. Brunschwig, K. Shinozaki, and E. Fujita
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
11340-11346 Ab Initio Study on the Mechanism of the Reactions of the Nitrate Radical with Haloalkenes: 1,2-Dichloroethene, 1,1-Dichloroethene, Trichloroethene, and Tetrachloroethene M. Pilar Pérez-Casany, Ignacio Nebot-Gil, and José Sánchez-Marín 11347-11354 Cyclization/Fission and Fragmentation/Recombination Mechanisms for the 1,2 Shift in Free Radicals: A Computational Study of H2C[Image]-CH2X (X = -C[Image]CH, -C [Image]N, -CH=CH2, and -CH=NH) and H2C[Image]-CH2CY=O (Y = -H, -F, -Cl, -CH3, -CN, -SH, -SCH3, -OH, and -O-) Philip George, Jenny P. Glusker, and Charles W. Bock 11355-11361 Polarizabilities of Carbon Dioxide and Carbodiimide. Assessment of Theoretical Model Dependencies on Dipole Polarizabilities and Dipole Polarizability Anisotropies Michael Lewis, Zhengyu Wu, and Rainer Glaser 11362-11370 Ab Initio Calculations and Display of Enantiomeric and Nonenantiomeric Anisotropic Circular Dichroism: The Lowest [Image] [Image] [Image]* Excitation in Butadiene, Cyclohexadiene, and Methyl-Substituted Cyclohexadienes Aage E. Hansen , Keld L. Bak 11371-11374 Halogen-Capped Aniline Trimers. Away from the Polyaniline Paradigm by Isosteric Replacement of Amino Groups: A Theoretical Study Lawrence T. Sein, Jr., Yen Wei, and Susan A. Jansen 11375-11383 Ab Initio Study of the Structural and Electronic Properties of a Real Size MoS2 Slab: Mo27S54 Yong-Wang Li, Xian-Yong Pang, and Bernard Delmon 11384-11389 Ab Initio Calculations of Reactive Pathways for [Image]-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine ( [Image]-HMX) James P. Lewis, Kurt R. Glaesemann, Kirk VanOpdorp, and Gregory A. Voth 11390-11397 Density Functional Study of the Interaction of Palladium Clusters with Hydrogen and CHx Species Valeria Bertani, Carlo Cavallotti, Maurizio Masi, and Sergio Carrŕ 11398-11402 Thermochemistry of Hydrochlorofluorosilanes: A Gaussian-3 Study Siu-Hung Chien, Wai-Kee Li, and N. L. Ma 11403-11413 An Ab Initio Study of the Structures and Vibrational Spectra of Chromium Oxo-Anions and Oxyhalides Stephen Bell and Trevor J. Dines 11414-11419 Binding Enthalpies for Alkali Cation-Benzene Complexes Revisited David Feller, David A Dixon, and John B. Nicholas 11420-11432 Absolute Binding Energies of Alkali-Metal Cation Complexes with Benzene Determined by Threshold Collision-Induced Dissociation Experiments and ab Initio Theory Jay C. Amicangelo and P. B Armentrout 11433-11438 Electron Propagator Theory of the Photoelectron Spectrum of Methanesulfenic Acid J. V. Ortiz
GENERAL PHYSICAL CHEMISTRY
11439-11442 On the Distribution of Local Molecular Symmetry in Crystals Giuseppe Brancato and Francesco Zerbetto 11443-11450 Direct Photoisomerization of the 1,6-Diphenyl-1,3,5-hexatrienes. Medium Effect on Triplet and Singlet Contributions Jack Saltiel, Shujun Wang, Lucas P. Watkins, and Dong-Hoon Ko 11451-11458 Density Measurements on C12Ej Nonionic Micellar Solutions as a Function of the Head Group Degree of Polymerization (j = 5-8) Marco Maccarini , Giuseppe Briganti