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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_28/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_28/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	28
Rights Holder	American Chemical Society
is Is Part Of of	The Role of Charge Transfer in the Hydrogen Bond Cooperative Effect ofcis-N-Methylformamide Oligomers Theoretical Investigation of the Weakly Dihydrogen Bonded Complexes FArCCH···HBeX(X = H, F, Cl, Br) Cholesterol Ozonolysis: Kinetics, Mechanism, and Oligomer Products Effects of Hydrogen Bonding on the Acidity of Adenine, Guanine, and Their 8-OxoDerivatives Structures and Properties of 1,8,15,22-Tetrasubstituted Phthalocyaninato-Lead Complexes: The Substitutional Effect Study Based on Density Functional Theory Calculations Bond Dissociation Energies and Radical Stabilization Energies Associated with ModelPeptide-Backbone Radicals CH2CHOH2+ + PN: A Proton-Transfer Triple Play Spin-Polarized Conceptual Density Functional Theory Study of the Regioselectivity in the[2+2] Photocycloaddition of Enones to Substituted Alkenes How Reactants Polarization Can Be Used to Change and Unravel Chemical Reactivity Kinetics of the CH2Cl + CH3 and CHCl2 + CH3 Radical−Radical Reactions Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay.Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations offac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)] Efficient Low-Temperature Oxidation of Carbon-Cluster Anions by SO2 Hydrogen-Bonded Networks in Ethanol Proton Wires: IR Spectra of (EtOH)qH+−LnClusters (L = Ar/N2, q ≤ 4, n ≤ 5) A Computational Study of the Thermochemistry of Bromine- and Iodine-ContainingMethanes and Methyl Radicals Ab Initio Quantum Chemical Investigation of Intramolecular Magnetic Interaction in SomeDiradical Derivatives of Imino Nitroxide and Nitronyl Nitroxide Study of Photoinduced Electron Transfer between [60]Fullerene and Proton-Sponge byLaser Flash Photolysis: Addition Effects of Organic Acid Low-Pressure DC Air Plasmas. Investigation of Neutral and Ion Chemistry Structure of Radical Cations of Saturated Heterocyclic Compounds with Two HeteroatomsAs Studied by Electron Paramagnetic Resonance, Electron−Nuclear Double Resonance, andDensity Functional Theory Calculations Empty Level Structure and Dissociative Electron Attachment Cross Section in(Bromoalkyl)benzenes A Theoretical Comparison of Lewis Acid vs Bronsted Acid Catalysis for n-Hexane →Propane + Propene Density Functional Theory Study of the Conformational Space of Phenyl Benzoate,a Common Fragment in Many Mesogenic Molecules Formation of Hydroxyl Radical from the Photolysis of Frozen Hydrogen Peroxide Electronic Structures and Molecular Properties of Chalcogen Nitrides Se2N2 and SeSN2 Infrared and Raman Line Shapes of Dilute HOD in Liquid H2O and D2O from 10 to 90 °C A Microwave and Quantum Chemical Study of the Conformational Properties andIntramolecular Hydrogen Bonding of 1-Fluorocyclopropanecarboxylic Acid Potential Energy Surfaces of SimOn Cluster Formation and Isomerization Ab Initio Study of the Substituent Effects on the Relative Stability of the E and ZConformers of Phenyl Esters. Stereoelectronic Effects on the Reactivity of the CarbonylGroup Ab Initio Assessment of the First Hyperpolarizability of Saturated and UnsaturatedPolyaminoborane/Polyphosphinoborane Copolymers Vapor Pressure and Intramolecular Hydrogen Bonding in Fluorotelomer Alcohols Measurement of NMR Cross-Polarization (CP) Rate Constants in the Slow CP Regime: Relevance to Structure Determinations of Zeolite−Sorbate and Other Complexes by CPMagic-Angle Spinning NMR

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