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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_23/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_23/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	23
Rights Holder	American Chemical Society
is Is Part Of of	Influence of Substitution, Hybridization, and Solvent on the Properties of C−HO Single-Electron Hydrogen Bond in CH3−H2O Complex Excited-State Dynamics of Polyfluorene Derivatives in Solution Gas-Phase Reactions of Co+ with Ethylamine: A Theoretical Approach to the Reaction Mechanisms of Transition Metal Ions with Primary Amines Arsenate Incorporation in Gypsum Probed by Neutron, X-ray Scattering and Density Functional Theory Modeling Coherence Length Determination of meso−meso Linked Porphyrin Arrays Based on Forward−Backward Pair Trajectory Analysis PELDOR Measurements on a Nitroxide-Labeled Cu(II) Porphyrin: Orientation Selection, Spin-Density Distribution, and Conformational Flexibility Molecular Structure of 1,5-Diazabicyclo[3.1.0]hexane as Determined by Gas Electron Diffraction and Quantum-Chemical Calculations Formation of Neutral Methylcarbamic Acid (CH3NHCOOH) and Methylammonium Methylcarbamate [CH3NH3+][CH3NHCO2−] at Low Temperature Temperature Dependence of the Evaporation Coefficient of Water in Air and Nitrogen under Atmospheric Pressure: Study in Water Droplets Spatial Ring Current Model for the Prismane Molecule Radial Exchange Density and Electron Delocalization in Molecules IR−UV Double Resonance Spectroscopic Investigation of Phenylacetylene−Alcohol Complexes. Alkyl Group Induced Hydrogen Bond Switching A Theoretical Study of Pericyclic Rearrangements Catalyzed by Lithium Probing the Flexibility of Internal Rotation in Silylated Phenols with the NMR Scalar Spin−Spin Coupling Constants Computational Study of the Aminolysis of Anhydrides: Effect of the Catalysis to the Reaction of Succinic Anhydride with Methylamine in Gas Phase and Nonpolar Solution Photoionization of Atmospheric Aerosol Constituents and Precursors in the 7−15 eV Energy Region: Experimental and Theoretical Study Evolution of the Reaction Mechanism during Ultrafast Photoinduced Electron Transfer Quantum-Chemical Foundations of the Topological SubstructuralMolecular Design Infrared Spectroscopic Investigation of CO Adsorption on SBA-15- and KIT-6-Supported Nickel Phosphide Hydrotreating Catalysts Photoresponsive Europium(III) Complex Based on Photochromic Reaction Theoretical Study of the Mechanism of the Abstraction Reactions of Heavy Cyclopropenes by Alcohol Water as a Clustering Agent in Photolysis and Photonucleation of Benzaldehyde Vapor Modeling π-π Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents Theoretical Study on Mechanisms and Kinetics of NCCO + O2 Reaction Macrocyclic Conjugation Pathways in Porphyrins Vibrational Characterization of the 1:1 Iodine−Benzene Complex Isolated in Solid Krypton Photophysical Properties of Oligophenylene Ethynylenes Modified by Donor and/or Acceptor Groups Bonding of Benzene with Excited States of Fe7 Vibrational Spectral Diffusion and Hydrogen Bond Dynamics in Heavy Water from First Principles Accurate Determination of the Limiting Anisotropy of Rhodamine 101. Implications for Its Use as a Fluorescence Polarization Standard Electronic States of o-Nitrobenzaldehyde: A Combined Experimental and Theoretical Study Two-Photon Absorption Properties of Azulenyl Compounds Having a Conjugated Ketone Backbone Relativistic Model Core Potential Study of the Au+Xe System Theoretical Study on Reaction Mechanism of Fulminic Acid HCNO with CN Radical Carbene Proton Attachment Energies: Theoretical Study Interplay of Hydrogenation and Dehydrogenation in Isoindoline and Indoline Isomers: A Density Functional Theory Study Ionization Spectroscopy of Conformational Isomers of Propanal: The Origin of the Conformational Preference The Temperature and Pressure Dependence of the Reactions H + O2 (+M) → HO2 (+M) and H + OH (+M) → H2O (+M)

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