The Journal of Physical Chemistry A, 2000, V 104, N 44, 9 November.

LETTERS

 9807-9811 
Electron Interference Effects on the Conductance of Doped
Carbon Nanotubes Alain Rochefort , Phaedon Avouris

9812-9815 
Free Energies of Electron Transfer Reactions in Polarizable,
Nondipolar, Quadrupolar Solvents Jonggu Jeon and Hyung J. Kim

9816-9819 
Waves and Vortices of Rust on the Surface of Corroding Steel
K. Agladze and O. Steinbock 

 9820-9822 
New Mechanism for H2 Formation in Water Jay A. LaVerne and S.
M. Pimblott 

FEATURE ARTICLE

 9823-9840 
The C2H5 + O2 Reaction Mechanism: High-Level ab Initio
Characterizations Jonathan C. Rienstra-Kiracofe, Wesley D.
Allen, and Henry F. Schaefer III 

ARTICLES

DYNAMICS AND RELAXATION

 9841-9852 
Microscopic Details of Rotational Diffusion of Perylene in
Organic Solvents: Molecular Dynamics Simulation and
Experiment vs Debye-Stokes-Einstein Theory Gouri S. Jas,
Erica J. Larson, Carey K. Johnson, and Krzysztof Kuczera

9853-9863 
Anion Radicals of Mono- and Bisfulleropyrrolidines: g
Tensors, Spin Density Distribution and Spin-Lattice
Relaxation Alfonso Zoleo, Anna Lisa Maniero, Maurizio Prato,
Maria Gabriella Severin, Louis Claude Brunel, Konstantinos
Kordatos, and Marina Brustolon 

 SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 9864-9873 
Hydrogen Bonding and Intermolecular Vibrations of
7-HydroxyquinolineˇNH3 in the S0 and S1 States Stéphane
Coussan, Andreas Bach, and Samuel Leutwyler 

 9874-9879 
On the Calculation of Infrared Intensities in Solution within
the Polarizable Continuum Model Roberto Cammi, Chiara
Cappelli, Stefano Corni, and Jacopo Tomasi 

 9880-9891 
High Vibrational State Energy Redistribution in Two
Deuterated Cyclopentenes L. Lespade and D. Cavagnat , S.

Rodin-Bercion 

 9892-9900 
Reactions of Laser-Ablated Ruthenium Atoms with CO and H2
Mixtures: Infrared Spectra and Density Functional Theory
Calculations of H2Ru(CO)x (x = 2-4) and (H2)RuCO Xuefeng Wang
and Lester Andrews 

 9901-9905 
Photofragment Spectroscopy and Dynamics of NiOH+ and
NiOH+(H2O) Christopher J. Thompson, Fernando Aguirre, John
Husband, and Ricardo B. Metz 

 9906-9913 
Barrier to Methyl Internal Rotation of Cis- and
Trans-2-Methylvinoxy Radicals in the [Image](2A' ') and
[Image](2A' ') States: Experiment and Theory Sarah Williams,
Lawrence B. Harding, John F. Stanton, and James C. Weisshaar

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 9914-9920 
Ce4+-Malonic Acid Reaction in the Presence of O2. Reaction
Channels Leading to Tartronic and Oxalic Acid Intermediates
László Hegedüs, Horst-Dieter Försterling, Mária Wittmann, and
Zoltán Noszticzius 

 9921-9932 
Measurement of Absolute Unimolecular and Bimolecular Rate
Constants for CH3CHOO Generated by the trans-2-Butene
Reaction with Ozone in the Gas Phase Jill D. Fenske, Alam S.
Hasson, Andy W. Ho, and Suzanne E. Paulson 

 9933-9940 
Kinetics of the Self-Reactions of Peroxy Radicals Arising
from Chlorine-Initiated Oxidation of Chloroethenes Eric
Villenave, Igor Morozov, and Robert Lesclaux 

 9941-9943 
Reaction of O(3P) with Alkenes: Side Chain vs Double Bond
Attack Zhiyuan Min, Teh-Hwa Wong, Hongmei Su, and Richard
Bersohn 

 9944-9952 
Control of Chaos in Combustion Reactions M. L. Davies, P. A.
Halford-Maw, J. Hill, M. R. Tinsley, B. R. Johnson, and S. K.
Scott , I. Z. Kiss and V. Gáspár 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 9953-9963 
Comparison of ab Initio Hartree-Fock and Kohn-Sham Orbitals
in the Calculation of Atomic Charge, Bond Index, and Valence
Tapas Kar , János G. Ángyán , A. B. Sannigrahi

9964-9970 
An ab Initio Post-Hartree-Fock Comparative Study of
5-Azacytosine and Cytosine and Their Dimers with Guanine
Yevgeniy Podolyan, Yury V. Rubin, and Jerzy Leszczynski

9971-9975 
Estimating the Strength of the Water/Single-Layer Graphite
Interaction David Feller and K. D. Jordan 

 9976-9982 
Can Hydrocarbon Chains Be Disrupted by Fast O(3P) Atoms? Asta
Gindulyt and Lou Massa , Bruce A. Banks and Sharon K.
Rutledge
]
 9983-9989 
Ab Initio Study of the Exchange Coupling in Oxalato-Bridged
Cu(II) Dinuclear Complexes J. Cabrero, N. Ben Amor, C. de
Graaf, F. Illas, and R. Caballol 

 9990-10000
Carbon-13 Solid-State NMR Studies on Synthetic Model
Compounds of [4Fe-4S] Clusters in the 2+ State Marielle
Crozet, Marc Chaussade, Michel Bardet, Lyndon Emsley, Bernard
Lamotte, and Jean-Marie Mouesca 

 10001-10008 
Electron Reorganization along the Intrinsic Reaction
Coordinate in 1,3-Dipolar Cycloaddition Ken Sakata

10009-10016 
Cation- and Solvent-Induced Formation of Supramolecular
Structures Composed of Crown-Ether Substituted Double-Decker
Phthalocyanine Radicals Naoto Ishikawa and Youkoh Kaizu

10017-10022 
The Equilibrium Structure and Torsional Potential Energy
Function Of Methanol and Silanol Jacek Koput 

 10023-10031 
Estimation of Electron Transfer Distances from AM1
Calculations Stephen F. Nelsen , Marshall D. Newton

10032-10034
Vertical Ionization Energies of Naphthalene O.
Dolgounitcheva, V. G. Zakrzewski, and J. V. Ortiz

10035-10044 
Anharmonic Vibrational Spectroscopy of Glycine: Testing of ab
Initio and Empirical Potentials Galina M. Chaban, Joon O.
Jung, and R. Benny Gerber 

GENERAL PHYSICAL CHEMISTRY

 10045-10052 
Proton Affinities of Simple Amines; Entropies and Enthalpies
of Activation and Their Effect on the Kinetic Method for
Evaluating Proton Affinities Jie Cao, Christiane Aubry, and
John L. Holmes 

 10053-10058 
Electrolyte Diffusion into Water Hiroshi Fujita