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A computational study of the mechanism of hydrogen evolution by cobalt(diimine-dioxime) catalysts

udgivet i: Chemistry: A European Journal

dato for udgivelse: 2013-09-17

sprog: engelsk

main subject: kobolt

Cites articles 28

Date

Titel

Forfattere

2012-09-04

Molecular mechanisms of cobalt-catalyzed hydrogen evolution

Harry B. Gray
2012-02-02

Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts

Sharon Hammes-Schiffer
2012-09-25

Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production

Sharon Hammes-Schiffer
2011-07-11

Splitting water with cobalt
2011-11-03

Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution.

Sharon Hammes-Schiffer
2010-01-01

Kinetics of electron transfer reactions of H2-evolving cobalt diglyoxime catalysts.

Harry B. Gray, Jillian Lee Dempsey
2010-11-10

Mechanism of H(2) evolution from a photogenerated hydridocobaloxime

Harry B. Gray
2010-11-01

Reductive side of water splitting in artificial photosynthesis: new homogeneous photosystems of great activity and mechanistic insight
2009-12-01

Hydrogen evolution catalyzed by cobaloximes

Harry B. Gray
2009-06-01

Visible light-driven hydrogen production from aqueous protons catalyzed by molecular cobaloxime catalysts.

William W. Brennessel
2009-07-01

Making hydrogen from water using a homogeneous system without noble metals

Theodore Lazarides, Pingwu Du, Brian Lindley, Richard Eisenberg, Theresa Mccormick
2009-11-30

Cobalt and nickel diimine-dioxime complexes as molecular electrocatalysts for hydrogen evolution with low overvoltages

Marc Fontecave
2009-09-01

Cyclopentadienyl ruthenium-nickel catalysts for biomimetic hydrogen evolution: electrocatalytic properties and mechanistic DFT studies

Jacques Pécaut
2009-06-01

Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods?
2009-12-01

Development of molecular electrocatalysts for CO2 reduction and H2 production/oxidation
2008-08-29

A homogeneous system for the photogeneration of hydrogen from water based on a platinum(II) terpyridyl acetylide chromophore and a molecular cobalt catalyst.
2008-09-24

Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase
2008-11-06

The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation
2007-06-28

Electrocatalytic hydrogen evolution at low overpotentials by cobalt macrocyclic glyoxime and tetraimine complexes

Bruce Brunschwig, Xile Hu
2007-03-09

Slow Proton-Transfer Reactions in Organometallic and Bioinorganic Chemistry
2005-06-01

Proton electroreduction catalyzed by cobaloximes: functional models for hydrogenases
2005-08-23

Electrocatalytic hydrogen evolution by cobalt difluoroboryl-diglyoximate complexes.

Xile Hu, Brandi Cossairt, Nathan Lewis
2005-08-04

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

Florian Weigend
2001-12-01

Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

Markus Reiher
1993

Density-functional thermochemistry. III. The role of exact exchange

Axel Becke
1988-09-01

Density-functional exchange-energy approximation with correct asymptotic behavior
1988-01-15

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Robert Parr, Weitao Yang
1986-06-15

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

John Perdew

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