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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_45/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_45/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	45
Rights Holder	American Chemical Society
is Is Part Of of	Hard and Soft X-ray Absorption Spectroscopic Investigation of AqueousFe(III)−Hydroxamate Siderophore Complexes Microsolvation of F- in Water Radiolysis of Aqueous Solutions of 1,1- and 1,2-Dichloroethane Vibrational Spectra and Structure of CH3Cl:H2O, CH3Cl:HDO, and CH3Cl:D2OComplexes. IR Matrix Isolation and ab initio Calculations Rare Tautomer Hypothesis Supported by Theoretical Studies: Ab Initio Investigations ofPrototropic Tautomerism in the N-Methyl-P Base Activation Barriers for Addition of Methyl Radicals to Oxygen-Stabilized Carbocations An Evaluation of Various Computational Methods for the Treatment of OrganoseleniumCompounds Unimolecular Dissociations of C70+ and Its Noble Gas Endohedral Cations Ne@C70+ andAr@C70+: Cage-Binding Energies for C2 Loss Ab Initio and DFT Study of the Geometric Structures and Static Dipole(Hyper)polarizabilities of Aromatic Anions Coherent Nuclear Wavepacket Motions in Ultrafast Excited-State Intramolecular ProtonTransfer: Sub-30-fs Resolved Pump−Probe Absorption Spectroscopy of10-Hydroxybenzo[h]quinoline in Solution Electronic Spectrum and Photodissociation of ClONO in Comparison to BrONO Quantum Chemical Characterization of the Structures, Thermochemical Properties, andSinglet−Triplet Splittings of Didehydroquinolinium and Didehydroisoquinolinium Ions Infrared Emission Spectra and Equilibrium Structures of Gaseous HgH2 and HgD2 The C−H and α(C−X) Bond Dissociation Enthalpies of Toluene, C6H5-CH2X (X = F, Cl),and Their Substituted Derivatives: A DFT Study Impact of Nuclear Quantum Effects on the Molecular Structure of Bihalides and theHydrogen Fluoride Dimer Ab Initio Thermochemistry Involving Heavy Atoms: An Investigation of the Reactions Hg+ IX (X = I, Br, Cl, O) Absorption Spectra of Ground-State and Low-Lying Electronic States of Copper Nitrosyl:A Rare Gas Matrix Isolation Study Theoretical Study on Reaction Mechanism of the Cyanogen Radical with Nitrogen Dioxide Two Competitive Routes in the Lactim−Lactam Phototautomerization of aHydroxypyridine Derivative Cation in Water: Dissociative Mechanism versusWater-Assisted Proton Transfer Experimental Advances for High-Speed Evaluation of Electron Densities Temperature Compensation in the Oscillatory Bray Reaction Theoretical Study of Vibrational and Optical Spectra of Methylene-Bridged Oligofluorenes Synthesis and Photochemical Properties of a Photochromic Iron(II) Complex ofHexaarylbiimidazole Chemical Exchange Reaction of Glycinatocopper(II) Complex in Water: A TheoreticalStudy Chemically Induced Dynamic Electron Polarization Generated through the Interactionbetween Singlet Molecular Oxygen and Nitroxide Radicals Photodissociation Dynamics of the Ethoxy Radical Investigated by PhotofragmentCoincidence Imaging The Classification of Solvents by Combining Classical QSPR Methodology with PrincipalComponent Analysis Uncatalyzed Reactions in the Classical Belousov−Zhabotinsky System. I. Reactions ofBromomalonic Acid with Acidic Bromate and with HOBr Infrared Spectra of VnBzn+1 Sandwich Clusters: A Theoretical Study of Size Evolution Aggregation of Poly(ethylene oxide)−Poly(propylene oxide) Block Copolymers in AqueousSolution: DPD Simulation Study Prediction of Supercritical Ethane Bulk Solvent Densities for Pyrazine Solvation ShellAverage Occupancy by 1, 2, 3, and 4 Ethanes: Combined Experimental and ab InitioApproach Theoretical Study of Low-Lying Triplet States of Aniline CH(A2Δ) Formation in Hydrocarbon Combustion: The Temperature Dependence of theRate Constant of the Reaction C2H + O2 → CH(A2Δ) + CO2 Time-Resolved Chemically Induced Dynamic Nuclear Polarization Studies of Structure andReactivity of Methionine Radical Cations in Aqueous Solution as a Function of pH Toward an Understanding of the Catalytic Role of Hydrogen-Bond Donor Solvents in theHetero-Diels−Alder Reaction between Acetone and Butadiene Derivative Correlated MO Study of the Low-Barrier Intramolecular Motions in Donor−AcceptorEthenes Collisions of Slow Polyatomic Ions with Surfaces: Dissociation and Chemical Reactions ofC2H2+•, C2H3+, C2H4+•, C2H5+, and Their Deuterated Variants C2D2+• and C2D4+• onRoom-Temperature and Heated Carbon Surfaces Photodissociation Reaction of 1,2-Diiodoethane in Solution: A Theoretical and X-rayDiffraction Study

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