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Time-Dependent Infrared Emission Following Photodissociation of Nitromethane andChloropicrin
Potassium Ion Controlled Switching of Intra- to Intermolecular Electron Transfer in CrownEther Appended Free-Base Porphyrin−Fullerene Donor−Acceptor Systems
Critical Dynamics of the Binary System Nitroethane/3-Methylpentane: Relaxation Rate andScaling Function
Uncovering the Fundamental Chemistry of Alkyl + O2 Reactions via Measurements ofProduct Formation
Absorption Spectra, Photophysical Properties, and Redox Behavior of Ruthenium(II)Polypyridine Complexes Containing Accessory Dipyrromethene−BF2 Chromophores
Free-Jet Rotational Spectrum and Tunneling Motion of Difluoromethane···Xenon
Magnitude of the CH/π Interaction in the Gas Phase: Experimental and TheoreticalDetermination of the Accurate Interaction Energy in Benzene-methane
Theory and Application of Dissociative Electron Capture in Molecular Identification
Atmospheric Oxidation Pathways of Acetic Acid
Planar Tetracoordinated Silicon in Silicon Carbonyl Complexes: A DFT Approach
Identification of C5Hx Isomers in Fuel-Rich Flames by Photoionization Mass Spectrometryand Electronic Structure Calculations
Relationship between the Time-Dependence of a Transient-State Kinetic Isotope Effect andthe Location of Complexes in a Reaction Sequence
Electro-optical Parameters of Bond Polarizability Model for Aluminosilicates
Photophysical and Theoretical Investigations of Oligo(p-phenyleneethynylene)s: Effect ofAlkoxy Substitution and Alkyne−Aryl Bond Rotations
Spectroscopic Characterization of a Series of Platinum Acetylide Complexes Having aLocalized Triplet Exciton
The Electronic Structure of Alkali Aurides. A Four-Component Dirac−Kohn−Sham Study
Molecular Fragments in Density Functional Theory
Hydrogen Atom Mediated Stone−Wales Rearrangement of Pyracyclene: A Model for Annealing in FullereneFormation
Solvent and Linker Influences on AQ•-/dA•+ Charge-Transfer State Energetics andDynamics in Anthraquinonyl-Linker-Deoxyadenosine Conjugates
Thermal Reactions of Benzoxazole. Single Pulse Shock Tube Experiments and QuantumChemical Calculations
Influence of Geometry Relaxation on the Energies of the S1 and S2 States of Violaxanthin,Zeaxanthin, and Lutein
Perfluorobutane Sulfonic Acid Hydration and Interactions with O2 Adsorbed on Pt3
Charge Resonance Character in the Charge Transfer State of Bianthryls: Effect ofSymmetry Breaking on Time-Resolved Near-IR Absorption Spectra
Kinetics of the OH + HCNO Reaction
Bilateral, Difunctional Nanosphere Aggregates and Their Assembly Mediated by PolymerChains
Transition-State Characterization of the Ammonia Ionization Process in Aqueous Solutionvia the Free-Energy Gradient Method
Early Stages of Styrene−Isoprene Copolymerization in Gas Phase Clusters Probed byResonance Enhanced Multiphoton Ionization
Mechanisms of the Reactions of W and W+ with H2O: Computational Studies
Mindless Chemistry
High-Level Coupled-Cluster Methods for Electron Spin Resonance Spectra:On the Experimental Spectrum of the Silacyclobutane Radical Cation
Methyl and Phenyl Substitution Effects on the Proton Affinities of Hydrides of First andSecond Row Elements and Substituent Effects on the Proton Affinities of Ring Carbons inBenzene: A DFT Study
Reaction Coordinate Analysis of the S2−S1 Internal Conversion of Phenylacetylene
Reaction of Cl Atoms with C6F13CH2OH, C6F13CHO, and C3F7CHO
Theoretical Studies of the Photochemical Dynamics of Acetylacetone: Isomerzation,Dissociation, and Dehydration Reactions
Theoretical Study of Structure, Vibrational Frequencies, and Electronic Spectra ofPolychlorinated Dibenzo-p-dioxins
Theoretical Study of the Complexes of Horminone with Mg2+ and Ca2+ Ions and TheirRelation with the Bacteriostatic Activity
A Density Functional Study on Beryllium-Doped Carbon Dianion Clusters CnBe2-(n = 4−14)
Trajectory Approach to the Mode-Selected Photodissociation of CS2
Conformational Stability of a Model Macrocycle Tetraamide: An ab Initio Study
Falloff Curves for the Reaction CH3 + O2 (+ M) → CH3O2 (+ M) in the Pressure Range2−1000 Bar and the Temperature Range 300−700 K
Electron Capture Detector Response and Dissociative Electron Attachment Cross Sectionsin Chloroalkanes and Chloroalkenes
Photoreactions in the Gas-Phase Complexes of Mg•+−Dioxanes
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