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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_12/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_12/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	12
Rights Holder	American Chemical Society
is Is Part Of of	Probing the Excited States of Ru(II) Complexes with Dipyrido[2,3-a:3‘,2‘-c]phenazine: ATransient Resonance Raman Spectroscopy and Computational Study Comments on “Theoretical Studies of Groundand Excited Electronic States in a Series ofHalide Rhenium(I) Bipyridine Complexes” A Molecular Dynamics Investigation of Rare-Gas Solvated Cation−Benzene Clusters Usinga New Model Potential On the Extent of Intramolecular Hydrogen Bonding in Gas-Phase and Hydrated1,2-Ethanediol Partial Hydrogen Bonds: Structural Studies on Thioureidoalkylphosphonates DFT/TDDFT Studies of the Geometry, Electronic Structure and Spectra of(12S)-1,4,7,10-Tetraazadicyclo[10,3,0]-pentadecane-3,11-dione and Its Derivatives Photodecomposition of Organic Peroxides Containing Coumarin Chromophore: Spectroscopic Studies The Mechanism of Unimolecular Decomposition of2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. A Computational DFT Study DFT-PCM Studies of Solvent Effects on the Cross-Interaction Constants in BenzhydrylCation and Anion Formation New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP DensityFunctional Method with the Triple-ζ Basis Set 6-311+G(d,p) Quantum Chemical Interaction Energy Surfaces of Ethylene and Propene Dimers Internal Noise Stochastic Resonance in NO Reduction by CO on Platinum Surfaces 2‘,7‘-Difluorofluorescein Excited-State Proton Reactions: Correlation betweenTime-Resolved Emission and Steady-State Fluorescence Intensity Spectroscopic Studies on Inclusion Properties of Fullerenocalix[4]arene Conjugates withMetal Ions Quantum Yields for Cl(2Pj) Atom Formation from the Photolysis of Chlorofluorocarbonsand Chlorinated Hydrocarbons at 193.3 nm Infrared Spectra and Electronic Structure Calculations for the Group 2 Metal M(OH)2Dihydroxide Molecules Ultraviolet and Infrared Photodissociation of Si+(C6H6)n and Si+(C6H6)nAr Clusters A Density Functional Theory Study for the Hydrogen-Bonded Nucleic Acid Base Pair: Cytosine Dimer Wavelength-Dependent Stereodifferentiation in the Fluorescence Quenching of AsymmetricNaphthalene-Based Dyads by Amines On the Conformational Memory in the Photodissociation of Formic Acid Inverse Sodium Hydride: Density Functional Theory Study of the Large Nonlinear OpticalProperties Theoretical and Experimental Reevaluation of the Basicity of λ3-Phosphinine H2 and Cl2 Production in the Radiolysis of Calcium and Magnesium Chlorides andHydroxides Gas-Phase Observation of Multiply Charged C60 Anions Mechanistic Pathways of the Hydroxyl Radical Reactions of Quinoline. 2. ComputationalAnalysis of Hydroxyl Radical Attack at C Atoms Oxidation Studies of Dipositive Actinide Ions, An2+ (An = Th, U, Np, Pu, Am) in the GasPhase: Synthesis and Characterization of the Isolated Uranyl, Neptunyl, and Plutonyl IonsUO22+(g), NpO22+(g), and PuO22+(g) Theoretical and Experimental Studies of Water Complexes of p- and o-Aminobenzoic Acid Pulse Radiolysis of 4,4‘-Bipyridyl Aqueous Solutions at Elevated Temperatures: SpectralChanges and Reaction Kinetics up to 400 °C Excited-State Double-Proton Transfer in the 7-Azaindole Dimer in the Gas Phase. 2.Cooperative Nature of Double-Proton Transfer Revealed by H/D Kinetic Isotopic Effects Chiral Organic Radical Cation and Dication. A Reversible Chiroptical Redox Switch Basedon Stepwise Transformation of Optically Active Tetrakis(p-alkoxyphenyl)ethylenes toRadical Cations and Dications Experimental and Computational Studies of Structure and Bonding in Parent and ReducedForms of the Azo Dye Orange II Excited-State Double-Proton Transfer in the 7-Azaindole Dimer in the Gas Phase. 1.Evidence of Complete Localization in the Lowest Excited Electronic State of AsymmetricIsotopomers An Experimental and Theoretical Investigation of the Photophysics of1-Hydroxy-2-naphthoic Acid Sticky Dissociative Electron Transfer to Polychloroacetamides. In-Cage Ion−DipoleInteraction Control through the Dipole Moment and Intramolecular Hydrogen Bond Frequency Dependent Complex Refractive Indices of Supercooled Liquid Water and IceDetermined from Aerosol Extinction Spectra Study of Singlet and Triplet 2,6-Difluorophenylnitrene by Time-Resolved InfraredSpectroscopy Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atomsand Functional Groups, −XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br,I, At) Mechanistic Pathways of the Hydroxyl Radical Reactions of Quinoline. 1. Identification,Distribution, and Yields of Hydroxylated Products Computational Study of the Stone−Wales Transformation in C36 A Quantitative Curve-Crossing Model for Radical Fragmentation

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