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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_48/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_48/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	48
Rights Holder	American Chemical Society
is Is Part Of of	Uptake and Reaction Kinetics of Acetone, 2-Butanone, 2,4-Pentanedione, and Acetaldehydein Sulfuric Acid Solutions Dimethyl Ether Oxidation at Elevated Temperatures (295−600 K) Anti-Correlated Spectral Motion in Bisphthalocyanines: Evidence for VibrationalModulation of Electronic Mixing Intrinsic Conformational Preferences of Substituted Cyclohexanes and TetrahydropyransEvaluated at the CCSD(T) Complete Basis Set Limit: Implications for the Anomeric Effect Photochemical Charge Separation within Aromatic Hydrazines and the Effect ofExcited-State Intervalence in Dihydrazines Comparison of Py•+/dU•- Charge Transfer State Dynamics in 5-(1-pyrenyl)-2‘-deoxyuridineNucleoside Conjugates with Amido-, Ethylenyl-, and Ethynyl Linkers Binding Energy Curves from Nonempirical Density Functionals. I. Covalent Bonds inClosed-Shell and Radical Molecules Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds inRare-Gas and Alkaline-Earth Diatomics N(4S) Formation following the 193.3-nm ArF Laser Irradiation of NO and NO2 and ItsApplication to Kinetic Studies of N(4S) Reactions with NO and NO2 Nonacarbonyldivanadium: Alternatives to Metal−Metal Quadruple Bonding Vibrational Spectra and Structure of CH3Cl:NO Complex: IR Matrix Isolation and DFTStudy Atmospheric Degradation of 2-Butanol, 2-Methyl-2-butanol, and 2,3-Dimethyl-2-butanol: OH Kinetics and UV Absorption Cross Sections Mechanism of Cis/Trans Equilibration of Alkenes via Iodine Catalysis Quantum Chemical Investigation of Hyperfine Coupling Constants on First CoordinationSphere Water Molecule of Gadolinium(III) Aqua Complexes Phototriggered Fluorescence Color Changes in Azobenzene-Functionalized ConjugatedPolymers Quantum Chemical Studies of Three-Photon Absorption of Some Stilbenoid Chromophores What Affects the Quartet−Doublet Energy Splitting in Peroxidase Enzymes? Mechanism of Cycloaddition Reactions between Ketene and N-Silyl-, N-Germyl-, andN-Stannylimines: A Theoretical Investigation Novel Mesoporous Solid Superacidic Catalysts: Activity and Selectivity in the Synthesis ofThymol by Isopropylation of m-Cresol with 2-Propanol over UDCaT-4, -5, and -6 Molecules with Large-Amplitude Torsional Motion Partially Oriented in a Nematic LiquidCrystal: Ethane and Isotopomers Inner Shell Excitation Spectroscopy of Biphenyl and Substituted Biphenyls: ProbingRing−Ring Delocalization Ozonolysis of Mixed Oleic-Acid/Stearic-Acid Particles: Reaction Kinetics and ChemicalMorphology Decomposition Mechanism of the Anions Generated by Atmospheric Pressure ChemicalIonization of Nitroanilines Ozone Interaction with Polycyclic Aromatic Hydrocarbons and Soot in AtmosphericProcesses: Theoretical Density Functional Study by Molecular and Periodic Methodologies Photoreduction of 4,4‘-Bipyridine by Amines in Acetonitrile−Water Mixtures: Influence ofH-Bonding on the Ion-Pair Structure and Dynamics Solvent Relaxation Study of pH-Dependent Hydration of Poly(oxyethylene) Shellsin Polystyrene-block-poly(2-vinylpyridine)-block-poly(oxyethylene) Micelles inAqueous Solutions Density Functional Studies of Actinyl Aquo Complexes Studied Using Small-Core EffectiveCore Potentials and a Scalar Four-Component Relativistic Method Gas-Phase Collisional Relaxation of the CH2I Radical after UV Photolysis of CH2I2 Dual-Frequency 2D IR on Interaction of Weak and Strong IR Modes One-Electron Reduction of an “Extended Viologen”p-Phenylene-bis-4,4‘-(1-aryl-2,6-diphenylpyridinium) Dication Stochastic Kinetic Models of Chiral Autocatalysis: A General Tool for the QuantitativeInterpretation of Total Asymmetric Synthesis DFT Study of the Monomers and Dimers of 2-Pyrrolidone: Equilibrium Structures,Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions Molecular Structure, Reactivity, and Toxicity of the Complete Series of ChlorinatedBenzenes

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