The Journal of Physical Chemistry A, 2000, V 104, N 39, 5 October.

LETTERS

 8843-8846 
DFT-Based Regioselectivity Criteria for Cycloaddition Reactions
Alessandro Ponti 

ARTICLES

DYNAMICS AND RELAXATION

 8847-8854 
Exciton Annihilation in J-Aggregates Probed by Femtosecond
Fluorescence Upconversion Johannes Moll, William J. Harrison,
Donald V. Brumbaugh, and Annabel A. Muenter 

 8855-8862 
Concentration Fluctuations in Ethanol/Dodecane Mixtures. A
Light-Scattering and Ultrasonic Spectroscopy Study U. Dürr, S.
Z. Mirzaev, and U. Kaatze 

 8863-8871 
Excited-State Double Proton Transfer in 3-Formyl-7-azaindole:
Role of the n[Image]* State in Proton-Transfer Dynamics Pi-Tai
Chou, Guo-Ray Wu, Ching-Yen Wei, Mei-Ying Shiao, and Yun-I Liu

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 8872-8881 
Neon Matrix Isolation Electron Spin Resonance and Theoretical
Studies of the Various Isotopomers of the CH3Mg Radical Allan
J. McKinley and Emmanuel Karakyriakos 

 8882-8886 
Matrix-Isolation Fourier Transform Infrared and Theoretical
Studies of Laser-Ablated Sc Atom Reactions with Water Molecules
Luning Zhang, Jian Dong, and Mingfei Zhou 

 8887-8897 
Matrix Infrared Spectra and Density Functional Calculations of
Manganese and Rhenium Carbonyl Neutral and Anion Complexes
Lester Andrews, Mingfei Zhou, and Xuefeng Wang , Charles W.
Bauschlicher, Jr. 

 8898-8907 
Computational and Experimental Infrared Spectra of
1,4-Dinitropiperazine and Vibrational Mode Assignment Suhithi
M. Peiris, Richard C. Mowrey, Craig A. Thompson, and T. P.Russell 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 8908-8915
FTIR Spectroscopic Investigation of the Mechanism and Kinetics
of the Heterogeneous Reactions of NO2 and HNO3 with Soot U.
Kirchner, V. Scheer, and R. Vogt 

 8916-8921
Temperature Dependence of O(1D) Quantum Yields from the
Photolysis of Ozone between 295 and 338 nm Geoffrey D. Smith,
Luisa T. Molina, and Mario J. Molina 

 8922-8929 
Products of the Gas-Phase Reactions of OH Radicals with
p-Xylene and 1,2,3- and 1,2,4-Trimethylbenzene: Effect of NO2
Concentration Heidi L. Bethel, Roger Atkinson, and Janet Arey

8930-8935 
Synergistic Effects of Sonolysis Combined with Ozonolysis for
the Oxidation of Azobenzene and Methyl Orange Hugo Destaillats,
A. J. Colussi, Jiju M. Joseph, and Michael R. Hoffmann

8936-8944 
Photodissociation of O3 around 309 nm Nori Taniguchi, Kenshi
Takahashi, and Yutaka Matsumi 

 8945-8950 Rate Coefficients for the OH + CF3I Reaction between 271 and
370 K Mary K. Gilles, R. K. Talukdar, and A. R. Ravishankara

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 8951-8954 Fractal Considerations in Chromatography: Column Efficiency and
the Multimicrocolumn System Yves Claude Guillaume,
Jean-François Robert, Eric Peyrin, and Christiane Guinchard

8955-8964 
Using Sanderson's Principle to Estimate Global Electronic
Properties and Bond Energies of Hydrogen-Bonded Complexes
Soledad Gutiérrez-Oliva, Pablo Jaque, and Alejandro Toro-Labbé

8965-8971 
Combined Mass Spectrometric and ab Initio Study of the Point
Contacts between 9-Methyladenine and the Amide Group I.
Galetich, S. G. Stepanian, V. Shelkovsky, M. Kosevich, Yu. P.
Blagoi, and L. Adamowicz 

 8972-8975 
Excited State Dipole Moment of PRODAN as Determined from
Transient Dielectric Loss Measurements A. Samanta and R. W.
Fessenden 

 8976-8982 
Electrostatics for Exploring Hydration Patterns of Molecules.
3. Uracil Shridhar R. Gadre and K. Babu , Alistair P. Rendell

8983-8988 
On the Structure and Vibrational Spectrum of
Tetrabromothiophene Frank Blockhuys, Bart Rousseau, Luc D.
Peeters, Christiaan Van Alsenoy, and Herman J. Geise , Olga N.
Kataeva , Benjamin Van der Veken and Wouter A. Herrebout

8989-8994 
Cyclic Delocalization of the Oxygen Lone Pair Electrons in the
Unusual Structures of Disilaoxirane and 1,3-Cyclodisiloxane
Jing Ma and Satoshi Inagaki 

 8995-9008 Quantum-Chemical Studies of Fluoroethanes: Vibrational
Assignments, Isolated CH Stretching Frequencies, Valence Force
Constants, and Bond Length Relationships Donald C. McKean

9009-9016 
Theoretical Study of the Low-Lying Electronically Excited
States of Diacetylene Fernando Vila, Piotr Borowski, and
Kenneth D. Jordan 

 9017-9025 
A Theoretical Determination of the Heats of Formation of Furan,
Tetrahydrofuran, THF-2-yl, and THF-3-yl David Feller , James A.Franz 

 9026-9028 
Heats of Formation for Cyclic C4Fn, n = 4-8, and Their Cations
Charles W. Bauschlicher, Jr. and Alessandra Ricca

GENERAL PHYSICAL CHEMISTRY

 9029-9045 
Modeling with Molecular Pseudoconnectivity Descriptors. A
Useful Extension of the Intrinsic I-State Concept Lionello
Pogliani 

 9046-9055 
Thermal Reversion Mechanism of N-Functionalized Merocyanines to
Spiropyrans: A Solvatochromic, Solvatokinetic, and
Semiempirical Study James T. C. Wojtyk, Adnaan Wasey, Peter M.
Kazmaier, Shmaryahu Hoz, and Erwin Buncel 

ADDITIONS AND CORRECTIONS

 9056-9056 
Atom-Bond Transition: Transferability of Atomic Length Scales
P. Ganguly: