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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_44/m/print http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_44/m/web
Date Copyrighted	2006
Rights	Copyright © 2006 American Chemical Society
issue	44
Rights Holder	American Chemical Society
is Is Part Of of	Electronic Structure Analysis and Electron Detachment Energies of PolynitrogenPentagonal Aromatic Anions Chemically Accurate Thermochemistry of Cadmium: An ab Initio Study of Cd + XY (X =H, O, Cl, Br; Y = Cl, Br) Kinetics of the Reactions of CH2I, CH2Br, and CHBrCl Radicals with NO2 in theTemperature Range 220−360 K Local Aromaticity in Natural Nucleobases and Their Size-Expanded Benzo-FusedDerivatives Photoinduced Intramolecular Charge Transfer Reaction in(E)-3-(4-Methylamino-phenyl)-acrylic Acid Methyl Ester: A Fluorescence Study inCombination with TDDFT Calculation Bond Length and Local Energy Density Property Connections for Non-Transition-MetalOxide-Bonded Interactions Equilibrium Phase Diagrams of Aqueous Mixtures of Malonic Acid and Sulfate/AmmoniumSalts Molecular Electrostatic Potential Devices on Graphite and Silicon Surfaces A Simple Multichromophore Design for Energy Transfer in Distyrylbenzenes with PyrenePendants Controlled Excitations of the Belousov−Zhabotinsky Reaction: Experimental Procedures Optical and X-ray Emission Spectroscopy of High-Power Laser-Induced DielectricBreakdown in Molecular Gases and Their Mixtures Quantum Chemical and Statistical Rate Study of the Reaction of O(3P) with Allene: O-Addition and H-Abstraction Channels Distribution of Internal States of CO from O (1D) + CO Determined with Time-ResolvedFourier Transform Spectroscopy Gaseous Arginine Conformers and Their Unique Intramolecular Interactions Ultrafast Relaxation Dynamics of the Excited States of Michler's Thione Computer-Aided Design of Promising Photochemical Alkoxy Radical Precursors Matrix-Isolated van der Waals Complexes Formed between CS2 and Dihalogen MoleculesXY, Where XY = Cl2, Br2, BrCl, ICl, or IBr DFT/B3LYP Study of the Substituent Effect on the Reaction Enthalpies of the IndividualSteps of Single Electron Transfer−Proton Transfer and Sequential Proton Loss ElectronTransfer Mechanisms of Phenols Antioxidant Action Density Functional Calculations of 3He Chemical Shift in Endohedral Helium Fullerenes: Neutral, Anionic, and Di-Helium Species Experimental and Theoretical Characterization of Aluminum-Based Binary Superatoms ofAl12X and Their Cluster Salts DFT and TDDFT Study Related to Electron Transfer in Nonbonded Porphine···C60Complexes Density Functional Study of Chemical Stability and Nitrogen Encapsulation of C48N12 andC58N12 Spin−Spin Contributions to the Zero-Field Splitting Tensor in Organic Triplets, Carbenesand BiradicalsA Density Functional and Ab Initio Study Kinetics of the CN + HCNO Reaction Intrinsic Anion Oxidation Potentials Theoretical Study of Two-Photon Absorption Properties of a Series of Ferrocene-BasedChromophores Induction of an Aromatic Six-Membered Nitrogen Ring via Cation−π Interaction Nitrogen 1s Near-Edge X-ray Absorption Fine Structure Spectroscopy of Amino Acids: Resolving Zwitterionic Effects Ab Initio Study on One-Way Photoisomerization of the Maleic Acid and Fumaric AcidAnion Radical System as a Model System of Their Esters Electronic States and Spectroscopic Properties of SiTe and SiTe+ Very Large Infrared Two-Photon Absorption Cross Section of Asymmetric Zinc PorphyrinAggregates: Role of Intermolecular Interaction and Donor−Acceptor Strengths Quantitative Structure−Activity (Affinity) Relationship (QSAR) Study on Protonation andCationization of α-Amino Acids Theoretical Investigation of Linalool Oxidation Comparison of the Localization of an Electron As Determined by the Two-ParticleDistribution Function and by the Single-Particle Sharing Index Kinetics Study of OH Radical Reactions with n-Octane, n-Nonane, and n-Decane at240−340 K Using the Relative Rate/Discharge Flow/Mass Spectrometry Technique Spectroscopic and Computational Studies of the Intramolecular Hydrogen Bonding of2-Indanol Tuning Excited-State Electron Transfer from an Adiabatic to Nonadiabatic Type inDonor−Bridge−Acceptor Systems and the Associated Energy-Transfer Process

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