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1.

Molecular Identification of a High-Spin Deprotonated Intermediate during the S₂ to S₃ Transition of Nature's Water-Oxidizing Complex.

Corry, Thomas A; O'Malley, Patrick J.

J Am Chem Soc ; 142(23): 10240-10243, 2020 06 10.

Article in English | MEDLINE | ID: mdl-32431144

2.

Localized Bond Orbital Analysis of the Bonds of O₂.

Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem A ; 124(47): 9771-9776, 2020 Nov 25.

Article in English | MEDLINE | ID: mdl-33180494

3.

Biological approaches to artificial photosynthesis, fundamental processes and theoretical approaches: general discussion.

Artero, Vincent; Hammarström, Leif; Fan, Fengtao; Whang, Dong Ryeol; Martinez, Jose; Harriman, Anthony; Noguchi, Takumi; Karlsson, Joshua; Summers, Peter; Itoh, Shigeru; Cogdell, Richard; Kibler, Alexander; Ehrmaier, Johannes; Tamiaki, Hitoshi; Fujita, Etsuko; Shima, Seigo; Yoshino, Shunya; Inoue, Haruo; Wasielewski, Michael; Corry, Thomas; Gust, Devens; Cassiola, Flavia; Ishida, Hitoshi; Takagi, Katsuhiko; Kang, Sang Ook; Li, Can; Sun, Licheng; Park, Hyunwoong; Hashimoto, Hideki; Amao, Yutaka; Son, Eun Jin; Kamiya, Nobuo; Shen, Jian-Ren; Yamaguchi, Kizashi.

Faraday Discuss ; 198: 147-168, 2017 06 02.

Article in English | MEDLINE | ID: mdl-28534894

4.

Magnetic and Electronic Structural Properties of the S₃ State of Nature's Water Oxidizing Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken-Symmetry Density Functional Theory.

Rogers, Ciarán J; Hardwick, Olivia; Corry, Thomas A; Rummel, Felix; Collison, David; Bowen, Alice M; O'Malley, Patrick J.

ACS Omega ; 7(45): 41783-41788, 2022 Nov 15.

Article in English | MEDLINE | ID: mdl-36406523

5.

S₃ State Models of Nature's Water Oxidizing Complex: Analysis of Bonding and Magnetic Exchange Pathways, Assessment of Experimental Electron Paramagnetic Resonance Data, and Implications for the Water Oxidation Mechanism.

Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem B ; 125(36): 10097-10107, 2021 09 16.

Article in English | MEDLINE | ID: mdl-34463499

6.

Bonding and Magnetic Exchange Pathways in Nature's Water-Oxidizing Complex.

Corry, Thomas A; Rummel, Felix; O'Malley, Patrick J.

J Phys Chem B ; 125(26): 7147-7154, 2021 07 08.

Article in English | MEDLINE | ID: mdl-34180671

7.

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

Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem Lett ; 11(10): 4221-4225, 2020 May 21.

Article in English | MEDLINE | ID: mdl-32374174

8.

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

Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem Lett ; 10(17): 5226-5230, 2019 Sep 05.

Article in English | MEDLINE | ID: mdl-31429574

9.

Impurity analysis of 2-butynoic acid by ion chromatography-mass spectrometry.

Corry, Thomas A; Jackson, Bethany A; Ray, Andrew D.

J Chromatogr A ; 1604: 460470, 2019 Oct 25.

Article in English | MEDLINE | ID: mdl-31492467

10.

Evidence of O-O Bond Formation in the Final Metastable S₃ State of Nature's Water Oxidizing Complex Implying a Novel Mechanism of Water Oxidation.

Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem Lett ; 9(21): 6269-6274, 2018 Nov 01.

Article in English | MEDLINE | ID: mdl-30336040

11.

Comparison of Experimental and Broken Symmetry Density Functional Theory Calculated Electron Paramagnetic Resonance Parameters for the Manganese Catalase Active Site in the Superoxidized Mn^III/Mn^IV State.

Beal, Nathan J; Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem B ; 122(11): 2881-2890, 2018 03 22.

Article in English | MEDLINE | ID: mdl-29470911

12.

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.

Beal, Nathan J; Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem B ; 122(4): 1394-1407, 2018 02 01.

Article in English | MEDLINE | ID: mdl-29300480

13.

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-Substituted Form.

Beal, Nathan J; Corry, Thomas A; O'Malley, Patrick J.

J Phys Chem B ; 121(50): 11273-11283, 2017 12 21.

Article in English | MEDLINE | ID: mdl-29179554

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Molecular Identification of a High-Spin Deprotonated Intermediate during the S₂ to S₃ Transition of Nature's Water-Oxidizing Complex.

Localized Bond Orbital Analysis of the Bonds of O₂.

Biological approaches to artificial photosynthesis, fundamental processes and theoretical approaches: general discussion.

Magnetic and Electronic Structural Properties of the S₃ State of Nature's Water Oxidizing Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken-Symmetry Density Functional Theory.

S₃ State Models of Nature's Water Oxidizing Complex: Analysis of Bonding and Magnetic Exchange Pathways, Assessment of Experimental Electron Paramagnetic Resonance Data, and Implications for the Water Oxidation Mechanism.

Bonding and Magnetic Exchange Pathways in Nature's Water-Oxidizing Complex.

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

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

Impurity analysis of 2-butynoic acid by ion chromatography-mass spectrometry.

Evidence of O-O Bond Formation in the Final Metastable S₃ State of Nature's Water Oxidizing Complex Implying a Novel Mechanism of Water Oxidation.

Comparison of Experimental and Broken Symmetry Density Functional Theory Calculated Electron Paramagnetic Resonance Parameters for the Manganese Catalase Active Site in the Superoxidized Mn^III/Mn^IV State.

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.

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-Substituted Form.