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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_32/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_32/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	32
Rights Holder	American Chemical Society
is Is Part Of of	Rovibrational Molecular Hamiltonian in Mixed Bond-Angle and Umbrella-Like Coordinates Solvent and Intermolecular Effects on First Hyperpolarizabilities of OrganometallicTungsten−Carbonyl Complexes, A TDDFT Study Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for theInfrared Intensities of X2CY (X = H, F, Cl; Y = O, S) Molecules Structures, Stabilities, and Electronic and Optical Properties of C62 Fullerene Isomers Metabasin Approach for Computing the Master Equation Dynamics of Systems withBroken Ergodicity Everyman's Derivation of the Theory of Atoms in Molecules Cation−π−Anion Interaction: A Theoretical Investigation of the Role of InductionEnergies Chemiluminescence of 1,2-Dioxetane. Reaction Mechanism Uncovered Spectroscopic and Density Functional Theory Studies of the Molecular Geometry andElectronic Structure of Classical and Nonclassical Radical Ions Derived from7-Benzhydrylidenenorbornene Analogues Oxidation of 2-Propanol and Cyclohexane by the Reagent “Hydrogen Peroxide−VanadateAnion−Pyrazine-2-carboxylic Acid”: Kinetics and Mechanism Association Patterns in (HF)m(H2O)n (m + n = 2−8) Clusters Structure and Stability of the [TCNE]22- Dimers in Dichloromethane Solution: AComputational Study Hyperconjugative Stabilization in Alkyl Carbocations: Direct Estimate of the β-Effect ofGroup-14 Elements Uptake of NH3 and NH3 + HOBr Reaction on Ice Surfaces at 190 K Quantum Chemical Study of the Thermal Decomposition of o-Quinone Methide(6-Methylene-2,4-cyclohexadien-1-one) Excited-State Absorption and Circular Dichroism of Ruthenium(II) Tris(phenanthroline) inthe Ultraviolet Region Density Functional Study of Structural and Electronic Properties of Small BimetallicSilver−Nickel Clusters Infrared Spectroscopic and Density Functional Theory Study on the Reactions of Rhodiumand Cobalt Atoms with Carbon Dioxide in Rare-Gas Matrixes Tautomerization of Adenine Facilitated by Water: Computational Study of Microsolvation Infrared Spectroscopy of Cationized Lysine and ε-N-methyllysine in the Gas Phase: Effectsof Alkali-Metal Ion Size and Proton Affinity on Zwitterion Stability Additivity of Ring Distortions in Halogen-Substituted Aromatics: a Gas-Phase ElectronDiffraction and Computational Study Pulsed Laser Photolysis Vacuum UVLaser-Induced Fluorescence Kinetic Study of the Gas-PhaseReactions of Cl(2P3/2) Atoms with C3−C6 Ketones Direct Dynamics Studies on Hydrogen Abstraction Reactions of CH3CHFCH3 andCH3CH2CH2F with OH Radicals The Fluorobenzene−Argon S1 Excited-State Intermolecular Potential Energy Surface Radical-Cationic Gaseous Amino Acids: A Theoretical Study Neutron and β/γ Radiolysis of Water up to Supercritical Conditions. 1. β/γ Yields for H2,H• Atom, and Hydrated Electron 1,10-Phenanthrolines with Tunable Luminescence upon Protonation: A Spectroscopic andComputational Study Calculation of Photoelectron Spectra of Molybdenum and Tungsten Complexes UsingGreen's Functions Methods Investigation of Inter-Ion Interactions in N,N,N',N'-TetramethylethylenediammoniumDithiocyanate via Experimental and Theoretical Charge Density Studies Resonance Raman Optical Activity and Surface Enhanced Resonance Raman OpticalActivity Analysis of Cytochrome c Laser Induced Fluorescence Spectroscopy of a Mixed Dimer between 2-Pyridone and7-Azaindole Dissociative Electron Attachment to Di-tert-butylperoxide, Artemisinin, and β-Artemether The Source of the Carbon Monoxide in the Classical Belousov−Zhabotinsky Reaction Quantum Chemical Study on the Circular Dichroism Spectra and Specific Rotation ofDonor−Acceptor Cyclophanes Microsolvation of the Dicyanamide Anion: [N(CN)2-](H2O)n (n = 0−12) Tunneling Molecular Dynamics in the Light of the Corpuscular-Wave Dualism Theory Dynamics of Clusters Initiated by Photon and Surface Impact Excessive Excitation of Hydrogen Peroxide during Oscillatory Chemical Evolution Structure and Vibrational Spectra of Ti(IV) Hydroxides and Their Clusters with ExpandedTitanium Coordination. DFT Study Density Functional Theory Study on the Cycloaddition of Carbon Dioxide with PropyleneOxide Catalyzed by Alkylmethylimidazolium Chlorine Ionic Liquids Topological Analysis of the Electronic Charge Density in the Ethene Protonation ReactionCatalyzed by Acidic Zeolite Theoretical Study of Oxidative Additions of H2 and MeCN to a Nickel(0) Complex: Significantly Large Correlation Effects and Characteristic Features of the Reaction Methanesulfinic Acid Reaction with OH: Mechanism, Rate Constants, and AtmosphericImplications Theoretical Investigation of the Electronically Excited States of Chlorine Hydrate Hydroxyl Radical Mediated Degradation of Phenylarsonic Acid The Optical Rotatory Power of Water

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