Construction of Pourbaix Diagrams for Ruthenium-Based Water-Oxidation Catalysts by Density Functional Theory

Ligand Geometry Directs OO Bond-Formation Pathway in Ruthenium-Based Water Oxidation Catalyst

(2012) Somnath Maji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental and quantum chemical characterization of the water oxidation cycle catalysed by [RuII(damp)(bpy)(H2O)]2+

(2012) Laura Vigara et al.   Chemical Science

Effects of a Proximal Base on Water Oxidation and Proton Reduction Catalyzed by Geometric Isomers of [Ru(tpy)(pynap)(OH2)]2+

(2011) Julie L. Boyer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cover Picture: Chemical, Electrochemical, and Photochemical Catalytic Oxidation of Water to Dioxygen with Mononuclear Ruthenium Complexes (ChemSusChem 2/2011)

(2011) Stephan Roeser et al.   ChemSusChem

Water Oxidation by Mononuclear Ruthenium Complexes with TPA-Based Ligands

(2011) Bhasker Radaram et al.   INORGANIC CHEMISTRY

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

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

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

Electrocatalytic and photocatalytic water oxidation to dioxygen based on metal complexes

(2010) Hirosato Yamazaki et al.   COORDINATION CHEMISTRY REVIEWS

Mechanism of Water Oxidation by Single-Site Ruthenium Complex Catalysts

(2010) Javier J. Concepcion et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Characterization of Redox States of Ru(OH2)(Q)(tpy)2+(Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2′:6′,2″-terpyridine) and Related Species through Experimental and Theoretical Studies

(2009) Ming-Kang Tsai et al.   INORGANIC CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Single-Site, Catalytic Water Oxidation on Oxide Surfaces

(2009) Zuofeng Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Ru−Hbpp Water Oxidation Catalyst

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

Homogeneous Light-Driven Water Oxidation Catalyzed by a Tetraruthenium Complex with All Inorganic Ligands

(2009) Yurii V. Geletii et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ruthenium‐Catalyzed Selective and Efficient Oxygenation of Hydrocarbons with Water as an Oxygen Source

(2008) Yuichirou Hirai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ru‐Hbpp‐Based Water‐Oxidation Catalysts Anchored on Conducting Solid Supports

(2008) Joaquim Mola et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Mechanism of Water Oxidation Catalysis Promoted by [tpyRu(IV)O]2L3+: A Computational Study

(2008) Xiaofan Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials

(2008) W. Ronald Fawcett   LANGMUIR