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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_9/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_9/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	9
Rights Holder	American Chemical Society
is Is Part Of of	Triplet Photophysics of Gold(III) Porphyrins Oxidation of CO by SO2: A Theoretical Study Linear Free-Energy Relationships and the Density Functional Theory: An Analog of theHammett Equation Hydrogen-Bonded Complexes of Lumichrome Refinement of Borate Structures from 11B MAS NMR Spectroscopy and Density FunctionalTheory Calculations of 11B Electric Field Gradients Intramolecular NH/π Complexes of 2-Allylaniline Derivatives in the Ground and ExcitedStates Effect of Substituents on the Strength of A−Cl- (A = Si, Ge, and Sn) Bonds in HypervalentSystems: ACl5-, ACl4F-, and A(CH3)3Cl2- Relative Stability of Mixed [3 + 1] Tc and Re Complexes: a Computational andConceptual DFT Study Electron and Nuclear Positions in the Short Hydrogen Bond in Urotropine-N-oxide·FormicAcid Atmospheric Chemistry of 4:2 Fluorotelomer Alcohol (n-C4F9CH2CH2OH): Products andMechanism of Cl Atom Initiated Oxidation in the Presence of NOx Solvent Adiabaticity Effects on Ultrafast Electron Transfer in Viologen Charge TransferComplexes Reaction Paths of Tautomerization between Hydroxypyridines and Pyridones Reflected Shock Tube Studies of High-Temperature Rate Constants for OH + CH4 → CH3+ H2O and CH3 + NO2 → CH3O + NO Kinetics and Mechanistic Studies of the Atmospheric Oxidation of Alkynes Oxo−Hydroxy Tautomerism of 5-Fluorouracil: Water-Assisted Proton Transfer Temperature Dependence of the Mass Accommodation Coefficients of 2-Nitrophenol,2-Methylphenol, 3-Methylphenol, and 4-Methylphenol on Aqueous Surfaces Orientational Ordering of a Bent-Core Mesogen by Two-Dimensional 13C NMRSpectroscopy Theoretical Calculation of Structures and Proton Transfer in HydratedAmmonia−Hydrogen Chloride Clusters Determination of the Chelating Site Preferentially Involved in the Complex of Lead(II) withCaffeic Acid: A Spectroscopic and Structural Study Dissociation of Sulfur Dioxide by Ultraviolet Multiphoton Absorption between 224 and232 nm Characterization of the Oxidation Products of Styryl-Substituted Terthiophenes andSexithiophenes Using Electronic Absorption Spectroscopy and Time-Dependent DFT Effect of Water, Methanol, and Acetonitrile on Solvent Relaxation and RotationalRelaxation of Coumarin 153 in Neat 1-Hexyl-3-methylimidazolium Hexafluorophosphate Ab Initio and Direct Dynamics Studies of the Reaction of Singlet Methylene with Acetyleneand the Lifetime of the Cyclopropene Complex Dissociative Photoionization and Thermochemistry of Dihalomethane Compounds Studiedby Threshold Photoelectron Photoion Coincidence Spectroscopy Environmental Effects on the Spectroscopic Properties of Gallic Acid: A CombinedClassical and Quantum Mechanical Study Anion−Tri-s-triazine Bonding: A Case for Anion Recognition Control of Local Ionization and Charge Transfer in the Bifunctional Molecule2-Phenylethyl-N,N-dimethylamine Using Rydberg Fingerprint Spectroscopy Excitation, Ionization, and Fragmentation of Chiral Molecules in AsymmetricMicroenvironments: A Mass-Resolved R2PI Spectroscopic Study Modeling Chlorite−Iodide Reaction Dynamics Using a Chlorine Dioxide−Iodide ReactionMechanism Molecular Structure and Conformational Composition of 2-Chloro-1-phenylethanone,ClH2CC(O)Ph, Obtained Using Gas-Phase Electron-Diffraction Data and Results fromTheoretical Calculations Effect of OH Internal Torsion on the OH-Stretching Spectrum of cis,cis-HOONO Benchmark Database of Barrier Heights for Heavy Atom Transfer, NucleophilicSubstitution, Association, and Unimolecular Reactions and Its Use to Test TheoreticalMethods Reaction of Hydrogen Atoms with Hydroxide Ions in High-Temperature andHigh-Pressure Water Investigating the Effect of the Zwitterion/Lactone Equilibrium of Rhodamine B on theCybotactic Region of the Acetonitrile/scCO2 Cosolvent Theoretical Study of O2−H2O: Potential Energy Surface, Molecular Vibrations, andEquilibrium Constant at Atmospheric Temperatures Probing the Electronic Structure of [2Fe-2S] Clusters with Three Coordinate Iron Sites byUse of Photoelectron Spectroscopy Structures of Cationized Proline Analogues: Evidence for the Zwitterionic Form

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