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Citations to this article as recorded by CrossRef and RSC Journals (12 citations).

Theoretical study on the mechanism of water oxidation catalyzed by a mononuclear copper complex: important roles of a redox non-innocent ligand and HPO42−anion
Ying-Ying Li, Xiao-Yan Wang, Hui-Ji Li, Jia-Yi Chen, Yao-Hua Kou, Xiao Li and Yaping Wang
RSC Adv., 2023, 13, 8352
DOI: 10.1039/D3RA00648D

Metal Complexes as Molecular Electrocatalysts for Water Oxidation: A Mini-Review
Fengzhao, Ting Sun and Ning Xia
International Journal of Electrochemical Science, 2018, 13, 4601
DOI: 10.20964/2018.05.27

Iron Complex as a Water-Oxidizing Catalyst: Free-Energy Barriers, Proton-Coupled Electron Transfer, Spin Dynamics, and Role of Water Molecules in the Reaction Mechanism
Koteswara Rao Gorantla and Bhabani S. Mallik
J. Phys. Chem. C, 2020, 124, 205
DOI: 10.1021/acs.jpcc.9b10378

Three-Electron Two-Centered Bond and Single-Electron Transfer Mechanism of Water Splitting via a Copper–Bipyridine Complex
Koteswara Rao Gorantla and Bhabani S. Mallik
J. Phys. Chem. A, 2023, 127, 160
DOI: 10.1021/acs.jpca.2c07630

Free energy landscape of electrocatalytic CO2 reduction to CO on aqueous FeN4 center embedded graphene studied by ab initio molecular dynamics simulations
Tian Sheng and Shi-Gang Sun
Chemical Physics Letters, 2017, 688, 37
DOI: 10.1016/j.cplett.2017.09.052

Energetic Effects of a Closed System Approach Including Explicit Proton and Electron Acceptors as Demonstrated by a Mononuclear Ruthenium Water Oxidation Catalyst
Jessica M. de Ruiter, Huub J. M. de Groot and Francesco Buda
ChemCatChem, 2018, 10, 4594
DOI: 10.1002/cctc.201801093

Two‐Channel Model for Electron Transfer in a Dye‐Catalyst‐Dye Supramolecular Complex for Photocatalytic Water Splitting
Yang Shao, Huub J. M. de Groot and Francesco Buda
ChemSusChem, 2021, 14, 3155
DOI: 10.1002/cssc.202100846

Copper Complex Catalyzed Two-Electron and Proton Shuttle Mechanism of O–O Bond Formation from DFT-Based Metadynamics Simulations
Koteswara Rao Gorantla and Bhabani S. Mallik
J. Phys. Chem. A, 2023, 127, 3788
DOI: 10.1021/acs.jpca.3c00088

Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms
Sara J. Koepke, Kenneth M. Light, Peter E. VanNatta, Keaton M. Wiley and Matthew T. Kieber-Emmons
J. Am. Chem. Soc., 2017, 139, 8586
DOI: 10.1021/jacs.7b03278

Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory
Jan Paul Menzel, Martijn Kloppenburg, Jelena Belić, Huub J. M. de Groot, Lucas Visscher and Francesco Buda
J Comput Chem, 2021, 42, 1885
DOI: 10.1002/jcc.26721

Modelling the aqueous and nonaqueous interfaces for CO2 electro-reduction over Sn catalysts
Tian Sheng and Shi-Gang Sun
Applied Surface Science, 2018, 428, 514
DOI: 10.1016/j.apsusc.2017.09.108

Mechanism and Electronic Perspective of Oxygen Evolution Reactions Catalyzed by [Fe(OTf)2(bpbp)]
Koteswara Rao Gorantla and Bhabani S. Mallik
J. Phys. Chem. C, 2021, 125, 1313
DOI: 10.1021/acs.jpcc.0c08495