The Journal of Physical Chemistry A, 2000, V 104, N 22, 8 June.
FEATURE ARTICLE
5161-5175
Ab Initio Multiple Spawning: Photochemistry from First
Principles Quantum Molecular Dynamics M. Ben-Nun, Jason
Quenneville, and Todd J. Martínez
ARTICLES
DYNAMICS AND RELAXATION
5176-5180
Fast Energy Transfer of Charge-Transfer Triplet Excited State
(3CT) of [Ru(bpy)3](PF6)2 to Os2+ at Short Distances in the
Crystal Minoru Tsushima, Noriaki Ikeda, Koichi Nozaki, and
Takeshi Ohno
5181-5189
Ultrafast Relaxation Processes of Triarylpyrylium Cations
Vidmantas Gulbinas, Dimitra Markovitsi, Thomas Gustavsson,
Renata Karpicz, and Michèle Veber
5190-5196
Effects of Anions on the NMR Relaxation of Pyridinium and
Di-tert-Butylpyridinium Ions in Acid Solution. Implications for
Chemisorption on Solid Acids Dan Frcaiu, Marta
Lezcano, and Povilas Lukinskas , David H. Waldeck
5197-5203
Migration of a Proton as a Function of Solvation within
{ROH}n{H2O}H+ Cluster Ions: Experiment and Theory Michael M. Y.
Lyktey, Robert L. DeLeon, Kevin S. Shores, Thomas R. Furlani,
and James F. Garvey
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
5204-5212
Binding Energies and Structures of NaI-(CH3CN)n=1-9 Clusters:
Theoretical Study of the Contact Ion Pair versus the
Solvent-Separated Ion Pair Structures in a Molecular Cluster G.
Grégoire, V. Brenner, and P. Millié
5213-5218
Zero-field Splitting of the Triplet Ground and Excited States
of 7H-Benz[de]anthracen-7-ylidene in n-Hexane at 1.7 K: A Hole
Burning Study B. Kozankiewicz, M. Aloshyna, and A. Sienkiewicz
, M. Orrit andP. Tamarat , C. M. Hadad, J. R. Snoonian, and M.
S. Platz
5219-5221
Observation of Vibronic Emission Spectrum of the Jet-Cooled
2,6-Difluorobenzyl Radical Sang Kuk Lee and Dae Youl Baek
5222-5229
Infrared and ab Initio Study of the Relative Stability and
Geometry of the 3-Fluoropropene-Hydrogen Chloride van der Waals
Complexes Z. Arp, W. A. Herrebout, J. Laane, and B. J. van der
Veken
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
5230-5237
Kinetic Study of the OH + Isoprene and OH + Ethylene Reactions
between 2 and 6 Torr and over the Temperature Range 300-423 K
Bao Chuong and Philip S. Stevens
5238-5245
Wetting of Hydrophobic Organic Surfaces and Its Implications to
Organic Aerosols in the Atmosphere Yinon Rudich, Ilan Benjamin,
Ron Naaman, Elan Thomas, Sofia Trakhtenberg, and Rachel
Ussyshkin
5246-5253
Thermal Decomposition of Tin Tetrachloride Based on Cl- and
Sn-Concentration Measurements Kazuo Takahashi, Andreas Kunz,
Dirk Woiki, and Paul Roth
5254-5264
An Experimental Method for Testing Reactivity Models: A
High-Pressure Discharge-Flow Study of H + Alkene and Haloalkene
Reactions James S. Clarke, Neil M. Donahue, Jesse H. Kroll,
Heather A. Rypkema, and James G. Anderson
5265-5268
Isomerization of Cubane Radical Cation Andrzej Marcinek, Jacek
Rogowski, and Jerzy Gbicki , Guo-Fei Chen and Ffrancon
Williams
5269-5274
Kinetic Evidence for Accumulation of Stoichiometrically
Significant Amounts of H2I2O3 during the Reaction of I- with
IO3- Jesús Alberto Agreda B. , Richard J. Field and Nancy J.
Lyons
5275-5280
Photocatalytic Water Oxidation in a Buffered
Tris(2,2'-bipyridyl)ruthenium Complex-Colloidal IrO2 System
Michikazu Hara, Chad C. Waraksa, John T. Lean, Bradley A.
Lewis, and Thomas E. Mallouk
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
5281-5290
Polarizable Model Potential Function for Ion-Methanol Systems
Setsuko Nakagawa
5291-5297
Structures of Furanosides: A Study of the Conformational Space
of Methyl -D-Lyxofuranoside by Density Functional
Methods Artem G. Evdokimov, Jan M. L. Martin, and A. Joseph
Kalb (Gilboa)
5298-5301
A Computational Review of an Experimental Hint at Unusual
Hydrogen Bonding in o-Cresol Cation Radical Carl Trindle
5302-5306
DFT Study of Zeolite LTA Structural Fragments: Double
Four-Member Rings of Oxygen-Bridged Silicon and Aluminum Atoms
Ellie L. Uzunova and Georgi St. Nikolov
5307-5319
Structure and Reactivity of Dinitrogen Pentoxide in Small Water
Clusters Studied by Electronic Structure Calculations Jonathan
P. McNamara and Ian H. Hillier
5320-5327
Atomic Mean Dipole Moment Derivatives and GAPT Charges Anselmo
E. de Oliveira, Roberto L. A. Haiduke, and Roy E. Bruns
5328-5334
Temperature Dependence of the Deuterium Quadrupole Coupling
Constants and the Correlation Times for Neat Formamide Mary J.
Hansen, Mark A. Wendt, and Thomas C. Farrar
5335-5342
Comparison between Protonation, Lithiation, and Argentination
of 5-Oxazolones: A Study of a Key Intermediate in Gas-Phase
Peptide Sequencing Christopher F. Rodriquez, Tamer Shoeib, Ivan
K. Chu, K. W. Michael Siu, and Alan C. Hopkinson
5343-5350
Ab Initio MCSCF Study on the Pseudo-Jahn-Teller Distortion from
Planarity in Cycloheptatriene, Heptalene, and Heptafulvalene
Azumao Toyota , Shiro Koseki and Masahiro Shiota
5351-5357
Density Functional Calculation of Structural and Vibrational
Properties of Glycerol Riccardo Chelli, Francesco L. Gervasio,
Cristina Gellini, Piero Procacci, Gianni Cardini, and Vincenzo
Schettino
5358-5365
"Napoleon Hat" Structure of Tetraatomic Molecules. A Combined
Photoelectron Spectroscopy and Ab Initio Study of CAlSi2- and
Its Neutral Alexander I. Boldyrev , Xi Li and Lai-Sheng Wang
5366-5373
A Theoretical Study of the Radiationless Decay Mechanism of
Cyclic Alkenes in the Lowest Triplet State Markus Woeller,
Stefan Grimme, and Sigrid D. Peyerimhoff , David Danovich,
Michael Filatov, and Sason Shaik
5374-5379
Electronic Structure of the 3d Metal Monoxide Anions Gennady L.
Gutsev, B. K. Rao, and P. Jena
GENERAL PHYSICAL CHEMISTRY
5380-5387
Theoretical Study of Pu and Cs Incorporation in a Mono-silicate
Neodymium Fluoroapatite Ca9Nd(SiO4)(PO4)5F2 C. Meis, J. D.
Gale, L. Boyer, J. Carpena, and D. Gosset
5388-5395
Analysis of Fluorometric Titration Curves Eugene Novikov,
Agnieszka Stobiecka, and Noël Boens
5396-5400
Infinite-Dilution Partial Molar Properties of Naphthalene and
Biphenyl in Carbon Dioxide from Supercritical Fluid
Chromatography: Composition Effects in the Stationary Phase
Young-Pyo Jeon, Michal Roth, and Yong Jung Kwon