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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106/issue_29/m/print http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106/issue_29/m/web
Date Copyrighted	2002
Rights	Copyright © 2002 American Chemical Society
issue	29
Rights Holder	American Chemical Society
is Is Part Of of	Ab Initio Study of Structure and Spectra of MnH2, MnH2-, and MnH3 Potential Energy Surface and Vibrational Predissociation Dynamics of I2(B)−Ne Structures and Reactions of P2N2: A Hybrid of Elemental N2 and P4? Local Spin III: Wave Function Analysis along a Reaction Coordinate, H Atom Abstraction,and Addition Processes of Benzyne Role of Structural Changes in the Triplet−Triplet Energy Transfer Process to OximeDerivatives Reply to “‘Phantom Activation Volumes' AreIndeed Real Activation Volumes” Probing Microstructure of Acetonitrile−Water Mixtures by Using Two-DimensionalInfrared Correlation Spectroscopy Counterpoise Corrected Ion/Molecule Complexes Using Two or Three Fragments “Phantom Activation Volumes” Are Indeed RealActivation Volumes Charge Density Studies of Weak Interactions in Dipicrylamine Hydration Structure and Water Exchange Reaction of Nickel(II) Ion: Classical andQM/MM Simulations OH-Radical Induced Oxidation of Phenoxyacetic Acid and 2,4-Dichlorophenoxyacetic Acid.Primary Radical Steps and Products Absorption Spectroscopic Study of the Complexation of C70 with Aniline and SubstitutedAnilines An Experimental and Computational Study of the Gas-Phase Structures of Five-CarbonMonosaccharides Comparison of Multireference Møller−Plesset Theory and Time-Dependent Methods for theCalculation of Vertical Excitation Energies of Molecules High-Resolution Spectroscopic Study of Matrix-Isolated Reactive Intermediates: Vibrational Assignments for 3-Fluoro-o-Benzyne and Perfluoro-o-Benzyne∇ Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies Transferable Scaling Factors for Vibrational Force Fields of Halogenated Molecules Basedon Energy-Consistent Pseudopotentials Theoretical Study of the CH···X- Interaction of Fluoromethanes and Chloromethanes withFluoride, Chloride, and Hydroxide Anions Quantitative Characterization of the Local Electrophilicity of Organic Molecules.Understanding the Regioselectivity on Diels−Alder Reactions Dissociation Barriers for Odd-Numbered Acyclic Nitrogen Molecules N9 and N11 Neon Matrix Infrared Spectra and DFT Calculations of Tungsten Hydrides WHx(x = 1−4, 6) Insertion of the Al Atom into the NH3 Molecule: Semiempirical SCF MO and MatrixIsolation ESR Study Structures, Energies, and NMR Shieldings of Some Small Water Clusters on theCounterpoise Corrected Potential Energy Surface Intramolecular Vibrational Relaxation Seen as Expansion in Phase Space. 4. GenericRelaxation Laws for a Spectroscopic Clump Profile On the Evidence Obtained by Exciting 7-Azaindole at 320 nm in 10-2 M Solutions Rapid Calculation of the Structures of Solutions with ab Initio Interaction Potentials Theoretical Study of the Interaction of NO2 Molecule with a Metal−Zeolite Model (Metal =Cu, Ag, Au) Photoreactions on LaTiO2N under Visible Light Irradiation Ab Initio Studies on the Thermal Dissociation Channels of cis- and trans-Azomethane Reaction Mechanism of Chlorosiloxane Ring Formation from SiCl4 and O2 Insights into the Nature of SiH4−BH3 Complex: Theoretical Investigation of NewMechanistic Pathways Involving SiH3• and BH4• Radicals Reduced Radical Characteristics of 7-Aminocoumarin Dyes Studied by Pulse RadiolysisTechnique

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