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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_42/m/print http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_42/m/web
Date Copyrighted	1997
Rights	Copyright © 1997 American Chemical Society
issue	42
Rights Holder	American Chemical Society
is Is Part Of of	Ab-Initio Calculations on Arginine−Disulfide Complexes Modeling the One-ElectronReduction of Lysozyme. Comparison to an Experimental Reinvestigation Vibrational Revivals and the Control of Photochemical Reactions Threshold Photoionization Study of Fe(CO)5 versus ab Initio Calculations Rare Gas Quenching of Metastable O2at 295 K Evidence from 13C and 29Si Hyperfine Structure Calculations against the σ*-Configurationof Cyclopolysilane Radical Anions As Determined by ENDOR Spectroscopy Nonstationary Electronic States and Site-Selective Reactivity Vibrational Spectroscopy of Ethanol Molecules and Complexes Selectively Prepared in theGas Phase and Adsorbed on Large Argon Clusters Theoretical Study of M+−CO2 and OM+CO Systems for First Transition Row Metal Atoms Dynamics of Chemical Reactivity Indices for a Many-Electron System in Its Ground andExcited States Electron Transition Current Density in Molecules. 1. Non-Born−Oppenheimer Theory ofVibronic and Vibrational Transitions Highly Mobile Solvent Holes in Viscous Squalane Solutions As Detected by Quantum Beatsand MARY Spectroscopy Techniques Ab Initio Studies of Halogenated Methyl and Methylene Radicals: Molecular Structure,Vibrational Frequencies, and Enthalpies of Formation Singlet-Born SCRP Observed in the Photolysis of Tetraphenylhydrazine in an SDS Micelle: Time Dependence of the Population of the Spin States Titanium−Carbon Clusters: New Evidence for High Stability of Neutral Met-Cars Van der Waals Complexes of Jet-Cooled Aromatic Thiones with Noble Gases: ThePhosphorescence Excitation Spectrum of 4H-Pyran-4-thione Isomerization and Decomposition of Indole. Experimental Results and Kinetic Modeling CHN2-: A Biradical Anionand a Potentially New Type of Reactive Intermediate Near-IR Absorption Spectrum of Aromatic Excimers Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density FunctionalTheory: The Importance of an Accurate Exchange−Correlation Energy Density at HighReduced Density Gradients Redox Reactions of Chloramphenicol and Some Aryl Peroxyl Radicals in AqueousSolutions: A Pulse Radiolytic Study Vibrational Analysis of 1,3,3-Trinitroazetidine Using Matrix Isolation Infrared Spectroscopyand Quantum Chemical Calculations On the Phase Dynamics in the BZ Reaction Vibrationally Resolved Photoelectron Spectra of TiCx- (x = 2−5) Clusters Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study UsingOH-(H2O)n (n = 4, 5, 6, 7, 11, 17) Clusters Primary and Solvent Kinetic Isotope Effects in the Water-Assisted Tautomerization ofFormamidine: An ab Initio Direct Dynamics Study Intramolecular Proton or Hydrogen-Atom Transfer in the Ground and Excited States of2-Hydroxybenzoyl Compounds Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling Ab Initio Study of 4(5)-Methylimidazole in Aqueous Solution Aggregation Dependent Absorption Reduction of Indocyanine Green Infrared Matrix Isolation and Theoretical Studies on Glutarimide Ab Initio Studies of Decarboxylations of the β-Keto Carboxylic Acids XCOCH2COOH (X =H, OH, and CH3) Structural Volume Changes in Photoinduced Electron Transfer Reactions. Laser-InducedOptoacoustic Studies of Speciation during the Quenching Reaction of Excited Ru(bpy)32+ byFe(III) in Aqueous Solutions C−Cl Bond Rupture in Ultraviolet Photodissociation of Vinyl Chloride Stability of Borane−Adduct Complexes: A G-2 Molecular Orbital Study

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