Quantum chemical approaches to [NiFe] hydrogenase

The mechanism by which [NiFe] hydrogenase catalyses the oxidation of molecular hydrogen is a significant yet challenging topic in bioinorganic chemistry. With far-reaching applications in renewable energy and carbon mitigation, significant effort has been invested in the study of these complexes. In...

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Bibliographic Details
Main Authors: Vaissier, Valerie, Van Voorhis, Troy
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: Portland Press 2018
Online Access:http://hdl.handle.net/1721.1/115113
https://orcid.org/0000-0003-1487-2910
https://orcid.org/0000-0001-7111-0176