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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_43/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_43/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	43
Rights Holder	American Chemical Society
is Is Part Of of	Reaction Mechanisms of C2Cl3 + NO2 via Nitro and Nitrite Adducts Theoretical Study on Structural, Electronic, and Optical Properties of Ambipolar Diphenylamino End-capped Oligofluorenylthiophenes and Fluoroarene-thiophene as Light-emitting Materials Theoretical Study of the Phototoxicity of Naproxen and the Active Form of Nabumetone Changes in Water Structure Induced by the Guanidinium Cation and Implications for Protein Denaturation Two Modifications Formed by “Sulflower” C16S8 Molecules, Their Study by XRD and Optical Spectroscopy (Raman, IR, UV−Vis) Methods FTIR Identification of the ν4(σu) and ν6(πu) Modes of Linear GeC3Ge Trapped in Solid Ar Measurement of the Dielectric Relaxation Property of Water−Ion Loose Complex in Aqueous Solutions of Salt at Low Concentrations The Role of Photoinduced Defects in TiO2 and Its Effects on Hydrogen Evolution from Aqueous Methanol solution Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation Theoretical Study of Structure, Electronic Properties, and Photophysics of Cyano-Substituted Thiophenes and Terthiophenes Interactions in Large, Polyaromatic Hydrocarbon Dimers: Application of Density Functional Theory with Dispersion Corrections Formation and Characterization of Two FeO3 Isomers in Solid Argon Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach Structure, Vibrational Spectra, and Unimolecular Dissociation of Gaseous 1-Fluoro-1-phenethyl Cations An Experimental and Kinetic Modeling Study of the Oxidation of the Four Isomers of Butanol The Simplest Linear-Carbon-Chain Growth by Atomic-Carbon Addition and Ring Opening Reactions Push−Pull vs Captodative Aromaticity Photophysical Study of New Versatile Multichromophoric Diads and Triads with BODIPY and Polyphenylene Groups Adsorption and Structure of Water on Kaolinite Surfaces: Possible Insight into Ice Nucleation from Grand Canonical Monte Carlo Calculations Optical Properties of (GaAs)n Clusters (n = 2−16) A Quantum Chemical Study of the Generation of a Potential Prebiotic Compound, Cyanoacetaldehyde, and Related Sulfur Containing Species Dissociative Photoionization Mechanism of 1,8-Dihydroxyanthraquinone: An Experimental and Theoretical Study Binding Energies of the Silver Ion to Alcohols and Amides: A Theoretical and Experimental Study Theoretical Studies of Metallo (Li and Na)−Ene Reaction Mechanisms Molecular Structure and Benzene Ring Deformation of Three Cyanobenzenes from Gas-Phase Electron Diffraction and Quantum Chemical Calculations Theoretical Analysis of the Intermolecular Interaction Effects on the Excitation Energy of Organic Pigments: Solid State Quinacridone Raman Resonance Effect in Liquid Water An Oligomer Study on Small Band Gap Polymers Investigation of Energy Deposited by Femtosecond Electron Transfer in Collisions Using Hydrated Ion Nanocalorimetry Electronic Spectroscopy and Ultrafast Energy Relaxation Pathways in the Lowest Rydberg States of Trimethylamine Steric Effect in the Energy Transfer Reaction of N2 + Rg (3P2) (Rg = Kr, Ar) Control of Photoinduced Electron Transfer in Zinc Phthalocyanine−Perylenediimide Dyad and Triad by the Magnesium Ion Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases On the Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster Density Functional Studies of the Hydrolysis of Aluminum (Chloro)Hydroxide in Water with CPMD and COSMO Computational Study of Pharmacophores: β-Sultams Effective Diffusion Coefficients for Methanol in Sulfuric Acid Solutions Measured by Raman Spectroscopy Experimental and Theoretical Study of Triplet Energy Transfer in Rigid Polymer Films Interactions of Mono- and Divalent Metal Ions with Aspartic and Glutamic Acid Investigated with IR Photodissociation Spectroscopy and Theory Electronic and Vibrational Relaxation of Porphycene in Solution

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