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Exploration of H<sub>2</sub> binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory

Crossref DOI link: https://doi.org/10.1039/c7cp06767d

Published Online: 2018

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Dong, Geng

Ryde, Ulf https://orcid.org/0000-0001-7653-8489
Aa. Jensen, Hans Jørgen https://orcid.org/0000-0002-8743-7381
Hedegård, Erik D. https://orcid.org/0000-0002-3868-1206
Funding

Funding for this research was provided by:

China Scholarship Council

Vetenskapsrådet (2014-5540)

European Commission

Carlsbergfondet (CF15-0208)

European Cooperation in Science and Technology (ECOSTBio)
License Information

Version of Record valid from 2018-02-06
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SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Ulf Ryde (ORCID)

: Ulf Ryde (ResearcherID)

: Hans Jørgen Aa. Jensen (ORCID)

: Hans Jørgen Aa. Jensen (ResearcherID)

: Erik D. Hedegård (ORCID)

: Erik D. Hedegård (ResearcherID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 3 October 2017; Accepted 24 November 2017; Accepted Manuscript published 24 November 2017; Advance Article published 5 December 2017; Version of Record published 3 January 2018