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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_18/m/print http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_18/m/web
Date Copyrighted	2001
Rights	Copyright © 2001 American Chemical Society
issue	18
Rights Holder	American Chemical Society
is Is Part Of of	Implications of Intramolecular OH···Se Hydrogen Bonding and CH···O Interaction in theConformational Stabilization of 2-(Methylseleno)ethanol Studied by VibrationalSpectroscopy and Density Functional Theory Effect of Pressure on the Intersystem Crossing between the Encounter Complex PairsInvolved in Triplet−Triplet Annihilation of 2-Acetonaphthone in Liquid Solution Reactions of Niobium and Tantalum Oxide Cluster Cations and Anions with n-Butane Combining Theory and Experiment to Interpret the EPR Spectra of VO2+-ExchangedZeolites Structures, Intramolecular Rotation Barriers, and Thermochemical Properties of RadicalsDerived from H Atom Loss in Mono-, Di-, and Trichloromethanol and ParentChloromethanols Reactions of Phenyl Cations with Methanol and Methyl Fluoride Test of Reaction Kinetics Using Both Differential Scanning and Accelerating RateCalorimetries As Applied to the Reaction of LixCoO2 in Non-aqueous Electrolyte Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Nuclear Quadrupole CouplingParameters of Peptide Bonds in α-Helix and β-Sheet Proteins Reaction Path of a sub-200 fs Photochemical Electrocyclic Reaction C−H···X Hydrogen Bonds of Acetylene, Ethylene, and Ethane with First- and Second-RowHydrides Absorption and Electroabsorption Spectra of [(NH3)5Ru(4,4‘-bipyridine)Ru(NH3)5]4+ inWater by ab Initio Calculations Looking at Chemical Bonding from Coulomb and Exchange Correlations in NAOs Structure and Bonding in a Series of Neutral and Cationic Transition Metal−Benzene η6Complexes [M(η6-C6H6)]n+ (M = Ti, V, Cr, Fe, Co, Ni, and Cu). Correlation of ChargeTransfer with the Bathochromic Shift of the E1 Ring Vibration Vibrational Study of Organometallic Complexes with Thiophene Ligands: Models forAdsorbed Thiophene on Hydrodesulfurization Catalysts Interaction of Propargyl Cation with Tetrahydrofuran: Thermodynamics, Kinetics, andBiological Relevance Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence ofReactants Internal Energy in HO2 and O3 Formation Theoretical Study of the Electronic Spectrum and ESR of the CH2OH Radical First ab Initio and Density Functional Study on the Structure, Bowl-to-Bowl InversionBarrier, and Vibrational Spectra of the Elusive C3v-Symmetric Buckybowl: Sumanene, C21H12 Magnetic Orientation and Magnetic Properties of a Single Carbon Nanotube An Investigation of the Structures, Vibrational Spectra, and Relative Energetics ofCH3COBrO3 Isomers Mechanism of HOx Formation in the Gas-Phase Ozone-Alkene Reaction. 2. Prompt versusThermal Dissociation of Carbonyl Oxides to Form OH Using the Phase of Light as a Photochemical Tool Cobalt Carbonyl Nitrosyl Complexes: Matrix Infrared Spectra and Density FunctionalCalculations Night-time Atmospheric Loss Process for Unsaturated Aldehydes: Reaction with NO3Radicals

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