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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_18/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_18/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	18
Rights Holder	American Chemical Society
is Is Part Of of	Methyl Cation Affinities of Rare Gases and Nitrogen and the Heat of Formation ofDiazomethane Dissociation Channels of the 1-Buten-2-yl Radical and Its Photolytic Precursor2-Bromo-1-butene Rate Constants for the Reactions of a Series of Alkylperoxy Radicals with NO Quantum Chemical Study on Excited States and Electronic Coupling Matrix Element in aCatechol−Bridge−Dicyanoethylene System Origin of Activation Barriers in the Dimerization of Neutral Radicals: A “NonperfectSynchronization” Effect? Properties of Ternary Insulating Systems: The Electronic Structure of MgSO4·H2O An Ab Initio and Density Functional Theory Study of Keto−Enol Equilibria ofHydroxycyclopropenone in Gas and Aqueous Solution Phase Theoretical Studies of Nuclear Magnetic Resonance Parameters for the Proton-ExchangePathways in Porphyrin and Porphycene Chemistry of Star-Forming Regions Theoretical Studies on the Intramolecular Hydrogen Bond and Tautomerism of8-Mercaptoquinoline in the Gaseous Phase and in Solution Using Modern DFT Methods The Vibration−Rotation Emission Spectrum of Gaseous HZnCl CH Stretching Vibrational Overtone Spectra of tert-Butylbenzene, tert-Butyl Chloride, andtert-Butyl Iodide Infrared Spectroscopy of the Intramolecular Hydrogen Bond in Acethylacetone: AComputational Approach Odd−Even Oscillations in First Hyperpolarizability of Dipolar Chromophores: Role ofConformations of Spacers C2h (BnEmSi)2H2 Molecules (E = B, C, Si; n = 3−6; m = 1, 2) Containing Double PlanarTetra-, Penta-, and Hexacoordinate Silicons Study of Lithium Cation in Water Clusters: Based on Atom-Bond ElectronegativityEqualization Method Fused into Molecular Mechanics Explanation of Spin−Lattice Relaxation Rates of Spin Labels Obtained with MultifrequencySaturation Recovery EPR Theoretical Study of the Structure and Bonding in Bridgehead Diphosphines Stabilization of Zwitterions in Solution: GABA Analogues Polymorphism of Crystalline α-Quaterthiophene and α-Sexithiophene: Ab Initio Analysisand Comparison with Inelastic Neutron Scattering Response CH-stretching Overtone Spectra of a Fast Rotating Methyl Group: 2-CH3 and 2-CHD2Pyridines Exploring Two-State Reactivity Pathways in the Cycloaddition Reactions of TripletMethylene Exciton Mobility and Trapping in a MALDI Matrix

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