Ab Initio Molecular Dynamics Study of Water Oxidation Reaction Pathways in Mono-Ru Catalysts

Tunable single-site ruthenium catalysts for efficient water oxidation

(2011) Lucile Bernet et al.   CHEMICAL COMMUNICATIONS

Recent theoretical studies of water oxidation in photosystem II

(2011) Per E.M. Siegbahn   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Water Oxidation by a Mononuclear Ruthenium Catalyst: Characterization of the Intermediates

(2011) Dmitry E. Polyansky et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited

(2010) Xavier Sala et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iridium(iii) molecular catalysts for water oxidation: the simpler the faster

(2010) Arianna Savini et al.   CHEMICAL COMMUNICATIONS

Acid−Base Mechanism for Ruthenium Water Oxidation Catalysts

(2010) Lee-Ping Wang et al.   INORGANIC CHEMISTRY

Insight into Water Oxidation by Mononuclear Polypyridyl Ru Catalysts

(2010) Derek J. Wasylenko et al.   INORGANIC CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Study of Proton Coupled Electron Transfer in a Biomimetic Dimanganese Water Oxidation Catalyst with Terminal Water Ligands

(2010) Ting Wang et al.   Journal of Chemical Theory and Computation

Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis

(2010) James D. Blakemore et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Fast Soluble Carbon-Free Molecular Water Oxidation Catalyst Based on Abundant Metals

(2010) Q. Yin et al.   SCIENCE

Nanostructured Cobalt Oxide Clusters in Mesoporous Silica as Efficient Oxygen-Evolving Catalysts

(2009) Feng Jiao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A New Dinuclear Ruthenium Complex as an Efficient Water Oxidation Catalyst

(2009) Yunhua Xu et al.   INORGANIC CHEMISTRY

The Ru−Hbpp Water Oxidation Catalyst

(2009) Fernando Bozoglian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Active and Robust Cp* Iridium Complexes for Catalytic Water Oxidation

(2009) Jonathan F. Hull et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solar water-splitting into H2 and O2: design principles of photosystem II and hydrogenases

(2008) Wolfgang Lubitz et al.   Energy & Environmental Science

Accurate Spin-State Energies for Iron Complexes

(2008) Marcel Swart   Journal of Chemical Theory and Computation

Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II

(2008) Eduardo M. Sproviero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+

(2008) M. W. Kanan et al.   SCIENCE

Cyclometalated Iridium(III) Aquo Complexes:  Efficient and Tunable Catalysts for the Homogeneous Oxidation of Water

(2007) Neal D. McDaniel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY