Mo Fischer carbene complexes : a DFT study on the prediction of redox potentials

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dc.contributor.author Adeniyi, Adebayo A.
dc.contributor.author Landman, Marile
dc.contributor.author Conradie, Jeanet
dc.date.accessioned 2022-09-08T04:31:34Z
dc.date.available 2022-09-08T04:31:34Z
dc.date.issued 2021-06
dc.description.abstract Please read abstract in the article. en_US
dc.description.department Chemistry en_US
dc.description.librarian hj2022 en_US
dc.description.sponsorship The University of the Free State; the National Research Foundation (NRF) in South Africa; the High-Performance Computing facility of the UFS, the Centre for High-Performance Computing (CHPC) of South Africa and the Norwegian Supercomputing Program. en_US
dc.description.uri https://iopscience.iop.org/journal/1945-7111 en_US
dc.identifier.citation Adeniyi, A.A., Landman, M. & Conradie, J. 2021, 'Mo Fischer carbene complexes : a DFT study on the prediction of redox potentials', Journal of the Electrochemical Society, vol. 168, no. 6, art. 66523, pp. 1-17, doi : 10.1149/1945-7111/ac0a28. en_US
dc.identifier.issn 0013-4651 (print)
dc.identifier.issn 1945-7111 (online)
dc.identifier.other 10.1149/1945-7111/ac0a28
dc.identifier.uri https://repository.up.ac.za/handle/2263/87116
dc.language.iso en en_US
dc.publisher Electrochemical Society en_US
dc.rights © 2021 The Electrochemical Society (“ECS”). Published on behalf of ECS by IOP Publishing Limited. en_US
dc.subject Carbene complexes en_US
dc.subject Oxidation potential en_US
dc.subject Reduction potential en_US
dc.subject Electron affinity en_US
dc.subject Ionization potential en_US
dc.subject Molecular electrostatic potential (MESP) en_US
dc.title Mo Fischer carbene complexes : a DFT study on the prediction of redox potentials en_US
dc.type Postprint Article en_US


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