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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_45/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_45/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	45
Rights Holder	American Chemical Society
is Is Part Of of	Multicoefficient Gaussian-3 Calculation of the Rate Constant for the OH + CH4 Reactionand Its 12C/13C Kinetic Isotope Effect with Emphasis on the Effects of Coordinate Systemand Torsional Treatment Computational Study of the Zr4+ Tetranuclear Polymer, [Zr4(OH)8(H2O)16]8+ Atmospheric Oxidation Mechanism of Bromoethane S-Oxygenation of Thiocarbamides. 3. Nonlinear Kinetics in the Oxidation ofTrimethylthiourea by Acidic Bromate CH3 + O2 → Η2CO + OH Revisited Electrolyte-Concentration and Ion-Size Dependence of Excited-State IntramolecularCharge-Transfer Reaction in (Alkylamino)benzonitriles: Steady-State Spectroscopic Studies Electrolyte-Concentration and Ion-Size Dependence of Excited-State IntramolecularCharge-Transfer Reaction in (Alkylamino)benzonitriles: Time-Resolved FluorescenceEmission Studies Structures, Reductive Dechlorination, and Electron Affinities of Selected PolychlorinatedDibenzo-p-dioxins: Density Functional Theory Study Photochemical Synthesis of H2O2 from the H2O···O(3P) van der Waals Complex: Experimental Observations in Solid Krypton and Theoretical Modeling Reaction Dynamics of Phenyl Radicals (C6H5, X2A‘) with Methylacetylene (CH3CCH(XA1)),Allene (H2CCCH2(X1A1)), and Their D4-Isotopomers Structure and Photophysics of 2-(2‘-Pyridyl)benzindoles: The Role of Intermolecular Hydrogen Bonds Theoretical Study on the Effects of Internal Noise for Rate Oscillations during COOxidation on Platinum(110) Surfaces UV and IR Absorption Cross-sections of HCHO, HCDO, and DCDO Photoelectron Detachment and Solvated Electron Dynamics of the Cobalt(III) and Iron(III)Oxalato Complexes Electron Detachment and Relaxation of OH-(aq) Recombination of the Hydrated Electron at High Temperature and Pressure inHydrogenated Alkaline Water Intramolecular Vibrational Force Fields for Linear Carbon Chains through an AdaptativeLinear Scaling Scheme Interplay between the Keto Defect and the Interchain Interaction on the Green Emission ofFluorene-Based Polymer Effects of Liquid Crystal Environment on the Spectroscopic and Photophysical Propertiesof Well-Known Reacting Systems 2,3-Dimethylindole (DMI) and 9-Cyanoanthracene(9CNA) The Symmetry of Two-Photon Excited States as Determined byTime-Resolved Fluorescence Depolarization Experiments Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties ofRuthenium(II) Polypyridine-Type Complexes Addition−Elimination in the Reaction of α-Hydroxyalkyl Radicals with3,5-Pyridinedicarboxylic Acid and Nicotinic Acid: Example of Inner Sphere OrganicElectron Transfer Reactions of Halogenated Hydroperoxides and Peroxyl and Alkoxyl Radicals fromIsoflurane in Aqueous Solution Interpretation of Brønsted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids Experimental and Theoretical Studies of the Reactions Y (a2D) + H2CO andY (a2D) + CH3CHO Sensitized Near-IR Luminescence of Ln(III) Complexes with Benzothiazole Derivatives Infrared Action Spectroscopy and Dissociation Dynamics of the HOOO Radical First Principles Studies on Boron Sites in Zeolites An Evaluation of Harmonic Vibrational Frequency Scale Factors Electronic Basis of the Comparable Hydrogen Bond Properties of Small H2CO/(H2O)n andH2NO/(H2O)n Systems (n = 1, 2) First-Principles Simulation of Amide and Aromatic Side Chain Ultraviolet Spectroscopy ofa Cyclic Dipeptide Production Mechanisms of NH and NH2 Radicals in N2−H2 Plasmas Kinetic Study of the Reactions of Cl Atoms with CF3CH2CH2OH, CF3CF2CH2OH,CHF2CF2CH2OH, and CF3CHFCF2CH2OH Wavelength Dependence of Nitrate Radical Quantum Yield from Peroxyacetyl NitratePhotolysis: Experimental and Theoretical Studies Electron Transfer from the S1 and S2 States of Pentacoordinated Tetrapyrrole Macrocyclesto Pyromellitic Diimide as an Axial Ligand Generation of [La(peptide)]3+ Complexes in the Gas Phase: Determination of the Numberof Binding Sites Provided by Dipeptide, Tripeptide, and Tetrapeptide Ligands Formation and Characterization of the Oxygen-Rich Scandium Oxide/Dioxygen ComplexesScOn (n = 4, 6, 8) in Solid Argon Mechanistic Study of Thermal Decomposition of Isoprene (2-Methyl-1,3-Butadiene)Using Flash Pyrolysis Supersonic Jet VUV Photoionization Mass Spectrometry Conformational Preferences of 2-Methoxy, 2-Methylthio, and2-Methylselenocyclohexyl-N,N-dimethylcarbamate: A Theoretical and ExperimentalInvestigation

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