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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_51/m/print http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_51/m/web
Date Copyrighted	2006
Rights	Copyright © 2006 American Chemical Society
issue	51
Rights Holder	American Chemical Society
is Is Part Of of	Quenching of Singlets and Triplets by Reversible Ionization Followed by ChargeRecombination Intracluster Ion−Molecule Reactions of Ti+ with C2H5OH and CF3CH2OH Clusters: Influence of Fluorine Substituents on Chemical Reactivity Dynamics of 9-Hydroxyphenalenone Studied by One-Dimensional Solid-State Spin ExchangeNMR Ionic Association of Hydroperoxide Anion HO2- in the Binding Mean SphericalApproximation. Spectroscopic Study of Hydrogen Peroxide in Concentrated SodiumHydroxide Solutions Isomer Stability and Bond-Breaking Energies of N8C8H8 Cages What Is So Specialabout the Sorption Behavior of Highly Fluorinated Compounds? Photophysical Properties of a 1,2,3,4,5,6-Hexasubstituted Fullerene Derivative Infrared Spectra of the Complexes of Trifluoroethene with Dimethyl Ether, Acetone, andOxirane: A Cryosolution Study Estimation of Electronic Couplingfor Intermolecular Electron Transfer from Cross-Reaction Data Heterogeneous Uptake of Ozone on Reactive Components of Mineral Dust Aerosol: AnEnvironmental Aerosol Reaction Chamber Study Computational Study on the Bond Dissociation Enthalpies in the Enolic and Ketonic Formsof β-Diketones: Their Influence on Metal−Ligand Bond Enthalpies Calorimetrically Measurable Enthalpic Isotope Effect Theoretical Investigation of One-Photon and Two-Photon Absorption Properties forMultiply N-Confused Porphyrins Furan−Formic Acid Dimers: An ab Initio and Matrix Isolation Study Quantum Chemical Study of the Structure and Thermochemistry of the Five-MemberedNitrogen-Containing Heterocycles and Their Anions and Radicals Empirical Determination of the Harmonic Force Constants in Benzene. 4. The FermiResonances Photoinduced Bimolecular Electron Transfer Investigated by Femtosecond Time-ResolvedInfrared Spectroscopy Investigation on the Correlation between the Interaction Energies of All Substituted Groupsand the Molecular Stabilities of Nitro Compounds Infrared Vibrational Autodetachment Spectroscopy of Microsolvated Benzonitrile RadicalAnions Infrared Spectra and Ab Initio Calculations for the F-−(CH4)n (n = 1−8) Anion Clusters New Findings on the Diels−Alder Reactions. An Analysis Based on the Bonding EvolutionTheory Excited-State Proton Transfer from Pyranine to Acetate in γ-Cyclodextrin andHydroxypropyl γ-Cyclodextrin Ab Initio Exploration of Rearrangement Reactions: Intramolecular Hydrogen ScramblingProcesses in Acetone Spectroscopic Signatures of Halogens in Clathrate Hydrate Cages. 1. Bromine Effect of Adsorption Site, Size, and Composition of Pt/Au Bimetallic Clusters on the COFrequency: A Density Functional Theory Study Cationic and Anionic Fragmentation of Dichloromethane following Inner-Shell (Cl 1s)Photoexcitation Ground and Lowest-Lying Electronic States of CoN. A Multiconfigurational Study Dual-Basis Analytic Gradients. 1. Self-Consistent Field Theory Altering the Emission Behavior with the Turn of a Thiophene Ring: The Photophysics ofCondensed Ring Systems of Alternating Benzenes and Thiophenes Theoretical Studies of Symmetric Five-Membered Heterocycle Derivatives of Carbazole andFluorene: Precursors of Conducting Polymers Quantum Mechanical Calculations of Tryptophan and Comparison with Conformations inNative Proteins An All-Atom Force Field for Metallocenes Origin of the Single Chain Magnet Behavior of the Co(H2L)(H2O) Compound with a 1DStructure Competitive Consecutive Electron Transfer in Determination of Ionization Potentials: Ketene Derivatives Raman Spectral Conformational Order Indicators in Perdeuterated Alkyl Chain Systems Quantum Mechanical Size and Steric Hindrance Electrolyte Screening Effect on the Photoprotolytic Cycle of Excited Photoacid in Ice Matrix Isolation and Theoretical Study of the Reaction of Substituted Phosphines withCrCl2O2 Direct Dynamics Simulations of O(3P) + HCl at Hyperthermal Collision Energies Covalent Interaction and Semiempirical Modeling of Small Molecules Optical and Photophysical Properties of Indolocarbazole Derivatives Vaporization Thermodynamic Studies by High-Temperature Mass Spectrometry on SomeThree-Phase Regions over the MnO−TeO2 Binary Line in the Mn−Te−O Ternary System Spatiotemporal Dynamics of the Landolt Reaction in an Open Spatial Reactor with ConicalGeometry Chain Photoreduction of CCl3F in TiO2 Suspensions: Enhancement Induced by O2 Interaction of Polar Molecules with Resonant Radio Frequency Electric Fields: Imaging ofthe NO Molecular Beam Splitting EPR Studies of Amine Radical Cations. Part 2. Thermal and Photo-InducedRearrangements of Propargylamine and Allylamine Radical Cations in Low-TemperatureFreon Matrices Diffusion-Controlled Reactions: Hydrodynamic Interaction between Charged, UniformlyReactive Spherical Reactants Density Functional Study on Geometrical Features and Electronic Structures ofDi-μ-oxo-Bridged [Mn2O2(H2O)8]q+ with Mn(II), Mn(III), and Mn(IV) Ab Initio Study of Hydrogen-Bond Formation between Cyclic Ethers and Selected AminoAcid Side Chains Tunneling through Weak Interactions: Comparison of Through-Space-, H-Bond-, andThrough-Bond-Mediated Tunneling Is NO3 Formed during the Decomposition of Nitramine Explosives? Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants VibrationallyExcited Influence of Reagent Rotation on (H-, D2) and (D-, H2) Collisions: A Quantum MechanicalStudy Sum-over-States Calculation of the Specific Rotations of Some Substituted Oxiranes,Chloropropionitrile, Ethane, and Norbornenone Photophysics of an Indigo Derivative (Keto and Leuco Structures) with Singular Properties On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO, and Their Anions

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