Journal of Physical Chemistry, 2002, V. 106, N 48, December 5.

ARTICLES

DYNAMICS AND RELAXATION

Reorientational Dynamics of the Model Compound 1,2,3,4-Tetrahydro-5,6-dimethyl- 
1,4-methanonaphthalene in Neat Liquid from Temperature-Dependent 13C Nuclear 
Magnetic Relaxation Data: Spectral Densities and Correlation Functions
Andreas Do"lle
pp 11683 - 11694; 

Details of the Potential Energy Surface for the Reaction Y + H2CCO: A Crossed-
Beams Study
Jonathan J. Schroden, Maurice Teo, and H. Floyd Davis
pp 11695 - 11699; 

Excited-State Dynamics of Cofacial Pacman Porphyrins
Zhi-Heng Loh, Scott E. Miller, Christopher J. Chang, Scott D. Carpenter,
and Daniel G. Nocera
pp 11700 - 11708; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Matrix Infrared Spectrum and Aromaticity of the Al2(CO)2 Molecule
Qinyu Kong, Mohua Chen, Jian Dong, Zhenhua Li, Kangnian Fan, and Mingfei Zhou
pp 11709 - 11713; 

FTIR Spectroscopy of Flavonols in Argon and Methanol/Argon Matrixes at 10 K. 
Reexamination of the Carbonyl Stretch Frequency of 3-Hydroxyflavone
Janet M. Petroski, Cindy De Sa Valente, Eric P. Kelson, and Susan Collins
pp 11714 - 11718; 

Revised Structure for the Diphenylaminyl Radical: The Importance of Theory in 
the Assignment of Electronic Transitions in Ph2X 
(X = CH, N) and PhY (Y = CH2, NH, O)
Gino A. DiLabio, Grzegorz Litwinienko, Shuquiong Lin, Derek A. Pratt,
and K. U. Ingold
pp 11719 - 11725; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Reactions of H3O+(H2O)0,1 with Alkylbenzenes from 298 to 1200 K
Anthony J. Midey, Skip Williams, Susan T. Arnold, and A. A. Viggiano
pp 11726 - 11738; 

Investigation of the Reaction of O3+ with N2 and O2 from 100 to 298 K
Anthony J. Midey, Skip Williams, Thomas M. Miller, Patrick T. Larsen,
 and A. A. Viggiano
pp 11739 - 11742; 

Formation and Decay Behaviors of Laser-Induced Transient Species from Pyrene 
Derivatives 1. Spectral Discrimination and Decay Mechanisms in Aqueous Solution
Yoshihiro Mori, Hiroyuki Shinoda, Taku Nakano, and Taiji Kitagawa
pp 11743 - 11749; 

Formation and Decay Behaviors of Laser-Induced Transient Species from Pyrene 
Derivatives 2. Micellar Effects
Yoshihiro Mori, Hiroyuki Shinoda, Taku Nakano, and Taiji Kitagawa
pp 11750 - 11759; 

Variational Transition-State Theory Rate Constant Calculations with 
Multidimensional Tunneling Corrections of the Reaction of Acetone with OH
Laura Masgrau, A`ngels Gonza'lez-Lafont, and Jose' M. Lluch
pp 11760 - 11770; 

Fractal Nature of Sorption Kinetics
R. P. Meilanov, D. A. Sveshnikova, and O. M. Shabanov
pp 11771 - 11774; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

A Systematic Study on the Reactivity of Lewis Acid-Base Complexes through the 
Local Hard-Soft Acid-Base Principle
K. R. S. Chandrakumar and Sourav Pal
pp 11775 - 11781; 

A Density Functional Theory Study of 
2 Acyl Bonding in Fe and Mn Carbonyl Complexes
Xianghuai Wang and Eric Weitz
pp 11782 - 11790; 

Ab Initio-Quality Electrostatic Potentials for Proteins: An Application of
 the ADMA Approach
Thomas E. Exner and Paul G. Mezey
pp 11791 - 11800; 

Electrostatic Potential at Atomic Sites as a Reactivity Descriptor for Hydrogen 
Bonding. Complexes of Monosubstituted Acetylenes and Ammonia
Valia Dimitrova, Sonia Ilieva, and Boris Galabov
pp 11801 - 11805; 

Ring Currents and Magnetic Properties of s-Indacene, an Archetypal Paratropic, 
Non-Antiaromatic Molecule
R. Soriano Jarti'n, A. Ligabue, A. Soncini, and P. Lazzeretti
pp 11806 - 11814; 

Ab Initio CASSCF and DFT Investigations of (H2O)2+ and (H2S)2+: Hemi-Bonded vs 
Proton-Transferred Structure
Tapan K. Ghanty and Swapan K. Ghosh
pp 11815 - 11821; 

Free Energy Calculations of Conformational Equilibrium of Chorismate in Water. 
The Role of Solute Polarization
Sergio Madurga and Eudald Vilaseca
pp 11822 - 11830; 

Vibrational Spectra of CO2-Electron Donor-Acceptor Complexes from ab Initio
Y. Danten, T. Tassaing, and M. Besnard
pp 11831 - 11840; 

GENERAL PHYSICAL CHEMISTRY

Relation of Tracer Diffusion Coefficient and Solvent Self-Diffusion Coefficient
Kyunil Rah, Sungjong Kwak, Byung Chan Eu, and Michel Lafleur
pp 11841 - 11845;