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List of works by Patrick J O'Malley

A Comparison of Experimental and Broken Symmetry Density Functional Theory (BS-DFT) Calculated Electron Paramagnetic Resonance (EPR) Parameters for Intermediates Involved in the S2 to S3 State Transition of Nature's Oxygen Evolving Complex.

scientific article

Comparison between Experimental and Broken Symmetry Density Functional Theory (BS-DFT) Calculated Electron Paramagnetic Resonance (EPR) Parameters of the S2 State of the Oxygen-Evolving Complex of Photosystem II in Its Native (Calcium) and Strontium

scientific article published on 27 November 2017

Comparison of Experimental and Broken Symmetry Density Functional Theory Calculated Electron Paramagnetic Resonance Parameters for the Manganese Catalase Active Site in the Superoxidized MnIII/MnIV State

scientific article published on 08 March 2018

Electronic-Level View of O-O Bond Formation in Nature's Water Oxidizing Complex

scientific article published on 06 May 2020

Evidence of O-O Bond Formation in the Final Metastable S State of Nature's Water Oxidizing Complex Implying a Novel Mechanism of Water Oxidation

article

Localized Bond Orbital Analysis of the Bonds of O2

scientific article published on 12 November 2020

Proton Isomers Rationalize the High- and Low-Spin Forms of the S2 State Intermediate in the Water-Oxidizing Reaction of Photosystem II

scientific article published on 23 August 2019

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