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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108/issue_3/m/print http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108/issue_3/m/web
Date Copyrighted	2004
Rights	Copyright © 2004 American Chemical Society
issue	3
Rights Holder	American Chemical Society
is Is Part Of of	N-Hydroxyphthalimides and Metal Cocatalysts for the Autoxidation of p-Xylene toTerephthalic Acid Theoretical Study of Dehydrogenation Effects upon the First Hyperpolarizability ofPolyphosphinoborane New Rate Constants for D + H2 and H + D2 Between ∼1150 and 2100 K Ab Initio Classical Trajectory Calculations of Acetylene Dication Dissociation Spin-Philicity and Spin-Donicity of Substituted Carbenes, Silylenes, Germylenes, andStannylenes Vibrational Spectra, Ab Initio Calculations, and Conformations of Bicyclo[3.3.0]oct-1,5-ene Effects of Natural Cyclodextrins on the Photophysical Properties ofDibenzofuran-2-carboxylic Acid LIF Spectra of Cyclohexoxy Radical and Direct Kinetic Studies of Its Reaction with O2 Competition between Intramolecular Electron-Transfer and Energy-Transfer Processes inPhotoexcited Azulene−C60 Dyad Dispersed Fluorescence and Computational Study of the 2 × 193 nm Photodissociation ofCHBr3 and CBr4 Isomerizations of Bicyclo[2.1.0]pent-2-ene and Tricyclo[2.1.0.02,5]pentane intoCyclopenta-1,3-diene: A Computational Study by DFT and High-Level ab Initio Methods A Two-Dimensional Potential Energy Surface and Associated Quantum States for theRing-Puckering Vibrations of Two Equivalent Rings: A Study of Bicyclo[3.3.0]oct-1,5-ene π-Conjugated Electroactive Oligomers: Energy and Electron Transducing Systems Photodissociation of N2O4 Adsorbed on Amorphous and Crystalline Water−Ice Films Very Large Scale Computations of the Free Energies of Eight Low-Lying Structures ofArginine in the Gas Phase The Impact of a Solvent and a Methyl Rotor on Timescales of Intramolecular VibrationalEnergy Redistribution in Aromatic Molecules Use of DFT-Based Reactivity Descriptors for Rationalizing Radical Reactions: A Critical Analysis Theoretical Study of the Reaction Mechanism of BO, B2O2, and BS with H2 Empty Level Structure and Dissociative Electron Attachment Cross Sections in Saturatedand Unsaturated Bromohydrocarbons Electrogenerated Chemiluminescence. 74. Photophysical, Electrochemical, andElectrogenerated Chemiluminescent Studies of Selected Nonplanar Pyrenophanes

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