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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_40/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_40/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	40
Rights Holder	American Chemical Society
is Is Part Of of	Computational Study on the Mechanism and Rate Constant for the C6H5 + C6H5NOReaction Structures and Thermochemistry of Calcium-Containing Molecules DFT and ab Initio Dual-Level Direct Dynamics Studies on the Reactions of Fluorine Atomwith HOCl and HOBr Density Functional Theory Study of the Hydrogen Bond Interaction between Lactones,Lactams, and Methanol G3(MP2) Enthalpies of Hydrogenation, Isomerization, and Formation of Extended LinearPolyacetylenes Infrared Spectra of M(OH)1,2,4 (M = Pb, Sn) in Solid Argon Evidence of Conformational Equilibrium of 1-Ethyl-3-methylimidazolium in Its Ionic LiquidSalts: Raman Spectroscopic Study and Quantum Chemical Calculations Especially Significant New Component of N2O Quantum Yield in the UV Photolysis ofO3 in Air Unrestricted Perfect Pairing: The Simplest Wave-Function-Based Model Chemistry beyondMean Field Laser-Induced Incandescence Study on the Metal Aerosol Particles as the Effect of theSurrounding Gas Medium Thermochemical and Kinetic Analyses on Oxidation of Isobutenyl Radical and2-Hydroperoxymethyl-2-propenyl Radical Ultrafast Dynamics of the Azobenzene−Coumarin Complex: Investigation of CoolingDynamics Measured by an Integrated Molecular Thermometer Sequential Merocyanine Product Isomerization Following Femtosecond UV Excitation of aSpiropyran Atmospheric Chemistry of CH3CHF2 (HFC-152a): Kinetics, Mechanisms, and Products ofCl Atom- and OH Radical-Initiated Oxidation in the Presence and Absence of NOx Nonlinear Optical Properties of Zwitterionic Merocyanine Aggregates: Role ofIntermolecular Interaction and Solvent Polarity Ab Initio and Variational Transition State Approach to β-C3N4 Formation: Kinetics for theReaction of CH3NH2 with H Matrix Infrared Spectra and Density Functional Theory Calculations of MolybdenumHydrides Mechanistic Evaluation of Arsenite Oxidation in TiO2 Assisted Photocatalysis Determination of the Equilibrium Structure of the Charge-transfer State of(p-Cyanophenyl)pentamethyldisilane by Means of Transient Infrared Spectroscopy Intervalence-Resonant Raman Spectroscopy of Strongly Coupled Mixed-Valence ClusterDimers of Ruthenium Density Functional Theoretical Study of a Series of Binary Azides M(N3)n (n = 3, 4) First Principles Study on the Solvation and Structure of C2O42-(H2O)n, n = 6−12 Theoretical Study of the Benzene Excimer Using Time-Dependent DensityFunctional Theory Imaging the Reaction Dynamics of OH + CD4. 2. Translational Energy Dependencies Influence of H2 on the Gas-Phase Decomposition of Formic Acid: A Theoretical Study Intramolecular Hydrogen Bonding in Disubstituted Ethanes: General Considerations andMethodology in Quantum Mechanical Calculations of the Conformational Equilibria ofSuccinamate Monoanion Infrared Spectroscopic and Density Functional Theory Studies on the Reactions ofCadmium Atoms with Carbon Monoxide in Solid Argon Calculations on the Group 15 Intraring Substituted Benzenes (Pyridine to Bismin Series)and Their Datively Bonded Oxides and Sulfides F-Loss and H-Loss Dissociations in Low-Lying Electronic States of the CH3F+ Ion StudiedUsing Multiconfiguration Second-Order Perturbation Theory Imaging the Reaction Dynamics of OH + CD4. 3. Isotope Effects Diffuse Reflectance FTIR Study of the Interaction of Alumina Surfaces with Ozone andWater Vapor Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH···O- andOH···O- Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate(succinamate) and Monohydrogen 1,4-Butanoate (monohydrogen succinate) Anions

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