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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_15/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_15/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	15
Rights Holder	American Chemical Society
is Is Part Of of	NMR Paramagnetic Relaxation of the Spin 2 Complex MnIIITSPP: A Unique Mechanism Experimental and Modeling Approach to Decolorization of Azo Dyes by Ultrasound: Degradation of the Hydrazone Tautomer Assessment of Recently Developed Multicoefficient Strategies for the Treatment ofπ-Conjugated Molecules The Conversion of Methane to Methanol: A Reaction Catalyzed by I+ or I2+? High-Temperature Measurements of the Reactions of OH with Toluene and Acetone Support Vector Machine and the Heuristic Method to Predict the Solubility ofHydrocarbons in Electrolyte Symmetry Analysis of the Vibronic States in the Upper Conical Potential (23A‘) of Triplet N-State Adiabatic-to-Diabatic Transformation Angle: Theory and Application Oxidation of Phenol in Aqueous Acid: Characterization and Reactions of Radical Cationsvis-à-vis the Phenoxyl Radical Substituent Effects in the Migration Step of the Baeyer−Villiger Rearrangement. ATheoretical Study Density Functional Study of the Reaction of Carbon Surface Oxides: The Behavior ofKetones Chiroptical Properties of 2-Chloropropionitrile FTIR Study of CO2 and H2O/CO2 Nanoparticles and Their Temporal Evolution at 80 K Vibrational Spectroscopy of Ni+(benzene)n Complexes in the Gas Phase Simulation of Liquid Water Using Semiempirical Hamiltonians and the Divide and ConquerApproach Measuring the Change in the Intermolecular Raman Spectrum during Dipolar Solvation Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes NMR-Paramagnetic Relaxation Due to the High-Spin d3 Electron Configuration: Cr(III)−TSPP Electron-Transfer Oxidation Properties of DNA Bases and DNA Oligomers Time-Dependent Reactive Scattering for the System H- + D2 ↔ HD + D- and Comparisonwith H- + H2 ↔ H2 + H- Atomic and Molecular Properties of Elements 112, 114, and 118 Activation/Driving Force Relationships for Cyclopropylcarbinyl → Homoallyl-TypeRearrangements of Radical Anions Conformational Effects on Optical Rotation. 2-Substituted Butanes Internal Rotational Motion of the Chloromethyl Group of the Jet-Cooled Benzyl ChlorideMolecule Reactions of Germanium Atoms and Small Clusters with CO: Experimental andTheoretical Characterization of GenCO (n = 1−5) and Ge2(CO)2 in Solid Argon Substitution and Solvent Effects on the Photophysical Properties of Several Series of10-Alkylated Phenothiazine Derivatives Time-Resolved Resonance Raman and Density Functional Theory Study ofHydrogen-Bonding Effects on the Triplet State of p-Methoxyacetophenone Ab Initio Study of the Cyclooctatetraenyl Radical Electronic Ground States of Iron Porphyrin and of the First Species in the CatalyticReaction Cycle of Cytochrome P450s Temperature-Dependent Far-Infrared Spectra of Single Crystals of High Explosives UsingTerahertz Time-Domain Spectroscopy Infrared, Raman, and Inelastic Neutron Scattering Spectra of Dodecahedrane: an IhMolecule in Th Site Symmetry

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