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