Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations-Reference-Cited by-同舟云学术

Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations

Published:2023 Issue: Volume:243 Page:253-269
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Van Stappen Casey¹^ORCID,Benediktsson Bardi²,Rana Atanu¹^ORCID,Chumakov Aleksandr³,Yoda Yoshitaka⁴,Bessas Dimitrios³,Decamps Laure¹^ORCID,Bjornsson Ragnar¹²⁵^ORCID,DeBeer Serena¹^ORCID

Affiliation:

1. Max Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, 45470 Mülheim an der Ruhr, Germany

2. Science Institute, University of Iceland, Dunhagi 3, 107 Reykjavik, Iceland

3. ESRF-The European Synchrotron, CS40220 38043, Grenoble CEDEX 9, France

4. Precision Spectroscopy Division, SPring-8/JASRI, Sayo 679-5198, Japan

5. Univ Grenoble Alpes, CNRS, CEA, IRIG, Laboratoire de Chimie et Biologie des Métaux, 38054, Grenoble, France

Abstract

57Fe NRVS and QM/MM are paired to identify key spectral components corresponding to the catalytic cofactors of the three nitrogenases.

Funder

Max-Planck-Gesellschaft

Deutsche Forschungsgemeinschaft

Háskóli Íslands

Alexander von Humboldt-Stiftung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/FD/D2FD00174H

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