A Comparison of Experimental and Broken Symmetry Density Functional Theory (BS-DFT) Calculated Electron Paramagnetic Resonance (EPR) Parameters for Intermediates Involved in the S<sub>2</sub> to S<sub>3</sub> State Transition of Nature's Oxygen Evolving Complex.

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

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.

Afiliação

Beal NJ; School of Chemistry, The University of Manchester , Manchester M13 9PL, U.K.
Corry TA; School of Chemistry, The University of Manchester , Manchester M13 9PL, U.K.
O'Malley PJ; School of Chemistry, The University of Manchester , Manchester M13 9PL, U.K.

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

Article em En | MEDLINE | ID: mdl-29300480

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article