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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.
J Am Chem Soc
; 142(23): 10240-10243, 2020 06 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-32431144
2.
Localized Bond Orbital Analysis of the Bonds of O2.
J Phys Chem A
; 124(47): 9771-9776, 2020 Nov 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-33180494
3.
Biological approaches to artificial photosynthesis, fundamental processes and theoretical approaches: general discussion.
Faraday Discuss
; 198: 147-168, 2017 06 02.
Artículo
en Inglés
| 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.
ACS Omega
; 7(45): 41783-41788, 2022 Nov 15.
Artículo
en Inglés
| 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.
J Phys Chem B
; 125(36): 10097-10107, 2021 09 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34463499
6.
Bonding and Magnetic Exchange Pathways in Nature's Water-Oxidizing Complex.
J Phys Chem B
; 125(26): 7147-7154, 2021 07 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-34180671
7.
Electronic-Level View of O-O Bond Formation in Nature's Water Oxidizing Complex.
J Phys Chem Lett
; 11(10): 4221-4225, 2020 May 21.
Artículo
en Inglés
| 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.
J Phys Chem Lett
; 10(17): 5226-5230, 2019 Sep 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31429574
9.
Impurity analysis of 2-butynoic acid by ion chromatography-mass spectrometry.
J Chromatogr A
; 1604: 460470, 2019 Oct 25.
Artículo
en Inglés
| 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.
J Phys Chem Lett
; 9(21): 6269-6274, 2018 Nov 01.
Artículo
en Inglés
| 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 MnIII/MnIV State.
J Phys Chem B
; 122(11): 2881-2890, 2018 03 22.
Artículo
en Inglés
| 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.
J Phys Chem B
; 122(4): 1394-1407, 2018 02 01.
Artículo
en Inglés
| 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.
J Phys Chem B
; 121(50): 11273-11283, 2017 12 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-29179554
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