About: Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution

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About: Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution Goto Sponge NotDistinct Permalink

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rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique publié en 2004 (fr) наукова стаття, опублікована в липні 2004 (uk) im Juli 2004 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57250577-B5EF23DE-8471-4B7D-9ACB-702FBAC67E2F
publication date	2004-07-19 00:00:00Z (xsd:dateTime)
exact match	wds:Q57250577-BA2D41C3-1EB2-461A-AF8B-07D995CEE9C5
exact match	https://scigraph.springernature.com/pub.10.1007/s00214-004-0577-0
author name string	wds:Q57250577-232F803F-2371-4404-8852-47147346E6DA wds:Q57250577-577FF1C8-5223-4DF3-89BE-672CED15D24D wds:Q57250577-A78905D2-9292-44B6-90B9-F0042C697513
author name string	D. G. Truhlar C. J. Cramer P. Winget
rdfs:label	Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (en) Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (nl)
skos:prefLabel	Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (en) Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (nl)
name	Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (en) Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (nl)
title	wds:Q57250577-73666DEF-FF84-43D2-8119-6D8C814CFB6F
title	Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution (en)
instance of	wds:Q57250577-7C2C099E-0C7B-4421-8945-22DE6241D1A3
instance of	scholarly article
published in	wds:Q57250577-0A377CCC-EB06-4080-B8F8-63171E9F94C9
published in	Theoretical Chemistry Accounts
issue	wds:Q57250577-DD3869D2-94F6-4728-AF9A-83B8A4CC02CE
volume	wds:Q57250577-35D5DD32-7072-40DC-971F-63BDD7633D08
issue	4
volume	112
DOI	wds:Q57250577-AC6F1042-B560-452B-B0B8-6ECCFF8C6E07
DOI	http://dx.doi.org/10.1007/S00214-004-0577-0
DOI	10.1007/S00214-004-0577-0
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57250577
is cites work of	Characterization of the structure and reactivity of monocopper-oxygen complexes supported by β-diketiminate and anilido-imine ligands Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics Oxidation potentials of phenols and anilines: correlation analysis of electrochemical and theoretical values. QSARs for phenols and phenolates: oxidation potential as a predictor of reaction rate constants with photochemically produced oxidants One electron oxidation potential as a predictor of rate constants of N-containing compounds with carbonate radical and triplet excited state organic matter. Electronic tuning of β-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(i) complexes Computational electrochemistry: prediction of liquid-phase reduction potentials. Toward robust computational electrochemical predicting the environmental fate of organic pollutants In search of the best DFT functional for dealing with organic anionic species Experimental and quantum chemical characterization of the water oxidation cycle catalysed by [RuII(damp)(bpy)(H2O)]2+ Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective Quantum chemical characterization of the mechanism of an iron-based water oxidation catalyst Mechanism and Origin of the Stereoselectivity in the Palladium-Catalyzed trans Hydroboration of Internal 1,3-Enynes with an Azaborine-Based Phosphine Ligand. Quantum chemical characterization of the mechanism of a supported cobalt-based water oxidation catalyst Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials? Direct observation of two-electron Ag(I)/Ag(III) redox cycles in coupling catalysis C(sp3)-H activation without a directing group: regioselective synthesis of N-ylide or N-heterocyclic carbene complexes controlled by the choice of metal and ligand. Accessing molecular memoryvia a disulfide switch Computing redox potentials for dyes used inp-type dye-sensitized solar cells Water oxidation catalysis with ligand substituted Ru–bpp type complexes Spectroscopic, Electrochemical and Computational Characterisation of Ru Species Involved in Catalytic Water Oxidation: Evidence for a [Ru(V) (O)(Py2 (Me) tacn)] Intermediate. Difference in redox behaviors between copper-binding octarepeat and nonoctarepeat sites in prion protein. Density‐functional Theory on the Oxidation Potentials and Geometry Parameters of Thioxanthen Derivatives: Theory and Experiment Long-Range π-Conjugation in Phenothiazine-containing Donor-Acceptor Dyes for Application in Dye-Sensitized Solar Cells. Electronic structure predictions of the properties of non-innocent P-ligands in group 6B transition metal complexes Theoretical estimation of redox potential of biological quinone cofactors. Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approach. Quantum Chemical Characterization of Water Oxidation Catalysts Electrochemical Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications. Electrochemical one-electron oxidation of low-generation polyamidoamine-type dendrimers with a 1,4-phenylenediamine core. Ferrocene Molecular Architectures Grafted on Si(111): A Theoretical Calculation of the Standard Oxidation Potentials and Electron Transfer Rate Constant. The 6,6-dicyanopentafulvene core: a template for the design of electron-acceptor compounds. Improving the Understanding of the Redox Properties of Fluoranil Derivatives for Cathodes in Sodium-Ion Batteries Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds
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