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Structure and spin state of nonheme Fe<sup>IV</sup>O complexes depending on temperature: predictive insights from DFT calculations and experiments

Crossref DOI link: https://doi.org/10.1039/C7SC01738C

Published Online: 2017

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

Authors

Lee, Na Young

Mandal, Debasish https://orcid.org/0000-0002-9452-6729
Bae, Seong Hee

Seo, Mi Sook

Lee, Yong-Min https://orcid.org/0000-0002-5553-1453
Shaik, Sason https://orcid.org/0000-0001-7643-9421
Cho, Kyung-Bin https://orcid.org/0000-0001-6586-983X
Nam, Wonwoo https://orcid.org/0000-0001-8592-4867
Funding

Funding for this research was provided by:

National Research Foundation of Korea (CRI-2012R1A3A2048842, GRL-2010-00353, MSIP-2013R1A1A2062737)

Israel Science Foundation (1183/13)
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Debasish Mandal (ORCID)

: Yong-Min Lee (ORCID)

: Sason Shaik (ORCID)

: Kyung-Bin Cho (ORCID)

: Kyung-Bin Cho (ResearcherID)

: Wonwoo Nam (ORCID)

COPYRIGHT AND LICENSING

: The Royal Society of Chemistry has an exclusive publication licence for this journal

OPEN ACCESS: This article is freely available. This article is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported Licence (CC BY-NC 3.0)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 19 April 2017; Accepted 27 May 2017; Accepted Manuscript published 30 May 2017; Advance Article published 7 June 2017; Version of Record published 24 July 2017