A Computational Study of the Mechanism of Hydrogen Evolution by Cobalt(Diimine-Dioxime) Catalysts

Effects of Ligand Modification and Protonation on Metal Oxime Hydrogen Evolution Electrocatalysts

(2013) Brian H. Solis et al.   INORGANIC CHEMISTRY

Proton-coupled electron transfer: classification scheme and guide to theoretical methods

(2012) Sharon Hammes-Schiffer   Energy & Environmental Science

Proton-coupled electron transfer kinetics for the hydrogen evolution reaction of hangman porphyrins

(2012) Manolis M. Roubelakis et al.   Energy & Environmental Science

Phosphine Coordination to a Cobalt Diimine–Dioxime Catalyst Increases Stability during Light-Driven H2 Production

(2012) Pan Zhang et al.   INORGANIC CHEMISTRY

Combined Experimental–Theoretical Characterization of the Hydrido-Cobaloxime [HCo(dmgH)2(PnBu3)]

(2012) Anirban Bhattacharjee et al.   INORGANIC CHEMISTRY

Molecular engineering of a cobalt-based electrocatalytic nanomaterial for H2 evolution under fully aqueous conditions

(2012) Eugen S. Andreiadis et al.   Nature Chemistry

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

(2012) S. Horvath et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular mechanisms of cobalt-catalyzed hydrogen evolution

(2012) S. C. Marinescu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Splitting Water with Cobalt

(2011) Vincent Artero et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime

(2011) James T. Muckerman et al.   CHEMICAL COMMUNICATIONS

A nickel–manganese catalyst as a biomimic of the active site of NiFe hydrogenases: a combined electrocatalytical and DFT mechanistic study

(2011) Vincent Fourmond et al.   Energy & Environmental Science

Theoretical Analysis of Mechanistic Pathways for Hydrogen Evolution Catalyzed by Cobaloximes

(2011) Brian H. Solis et al.   INORGANIC CHEMISTRY

Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods

(2011) Karina Kornobis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts

(2011) Laura E. Fernandez et al.   Journal of Physical Chemistry C

Hydrogen Generation by Hangman Metalloporphyrins

(2011) Chang Hoon Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Substituent Effects on Cobalt Diglyoxime Catalysts for Hydrogen Evolution

(2011) Brian H. Solis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic hydrogen production at cobalt centres

(2010) Sebastian Losse et al.   COORDINATION CHEMISTRY REVIEWS

H2Evolution and Molecular Electrocatalysts: Determination of Overpotentials and Effect of Homoconjugation

(2010) Vincent Fourmond et al.   INORGANIC CHEMISTRY

Kinetics of Electron Transfer Reactions of H2-Evolving Cobalt Diglyoxime Catalysts

(2010) Jillian L. Dempsey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of H2Evolution from a Photogenerated Hydridocobaloxime

(2010) Jillian L. Dempsey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reductive Side of Water Splitting in Artificial Photosynthesis: New Homogeneous Photosystems of Great Activity and Mechanistic Insight

(2010) Theresa M. McCormick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Evolution Catalyzed by Cobaloximes

(2009) Jillian L. Dempsey et al.   ACCOUNTS OF CHEMICAL RESEARCH

Development of Molecular Electrocatalysts for CO2Reduction and H2Production/Oxidation

(2009) M. Rakowski Dubois et al.   ACCOUNTS OF CHEMICAL RESEARCH

Cyclopentadienyl Ruthenium–Nickel Catalysts for Biomimetic Hydrogen Evolution: Electrocatalytic Properties and Mechanistic DFT Studies

(2009) Sigolène Canaguier et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanism of hydrogen evolution catalyzed by NiFe hydrogenases: insights from a Ni–Ru model compound

(2009) Loredana Vaccaro et al.   DALTON TRANSACTIONS

Visible Light-Driven Hydrogen Production from Aqueous Protons Catalyzed by Molecular Cobaloxime Catalysts

(2009) Pingwu Du et al.   INORGANIC CHEMISTRY

Calculation of One-Electron Redox Potentials Revisited. Is It Possible to Calculate Accurate Potentials with Density Functional Methods?

(2009) Lindsay E. Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Making Hydrogen from Water Using a Homogeneous System Without Noble Metals

(2009) Theodore Lazarides et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) P.-A. Jacques et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular Catalysis of Electrochemical Reactions. Mechanistic Aspects

(2008) Jean-Michel Savéant   CHEMICAL REVIEWS

The roles of the first and second coordination spheres in the design of molecular catalysts for H2production and oxidation

(2008) M. Rakowski DuBois et al.   CHEMICAL SOCIETY REVIEWS

Cobalamins uncovered by modern electronic structure calculations

(2008) Kasper P. Jensen et al.   COORDINATION CHEMISTRY REVIEWS

Theoretical Studies on the Redox Potentials of Fe Dinuclear Complexes as Models for Hydrogenase

(2008) Lindsay E. Roy et al.   INORGANIC CHEMISTRY

A Homogeneous System for the Photogeneration of Hydrogen from Water Based on a Platinum(II) Terpyridyl Acetylide Chromophore and a Molecular Cobalt Catalyst

(2008) Pingwu Du et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY