Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra-Reference-Cited by-同舟云学术

Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra

Published:2018-12-04 Issue:1 Volume:15 Page:477-489
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Guo Meiyuan¹²^ORCID,Källman Erik²,Pinjari Rahul V.³,Couto Rafael C.²,Kragh Sørensen Lasse²,Lindh Roland²^ORCID,Pierloot Kristine⁴^ORCID,Lundberg Marcus²⁵^ORCID

Affiliation:

1. Department of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China

2. Department of Chemistry - Ångström Laboratory, Uppsala University, 751 20 Uppsala, Sweden

3. School of Chemical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, Maharashtra, India

4. Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee Leuven, Belgium

5. Department of Biotechnology, Chemistry and Pharmacy, Università di Siena, Via A. Moro 2, 53100 Siena, Italy

Funder

Vetenskapsr?det

Knut och Alice Wallenbergs Stiftelse

Carl Tryggers Stiftelse f?r Vetenskaplig Forskning

Petra och Karl Erik Hedborgs Stiftelse

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00658

Reference98 articles.

1. Hard X-ray Nanotomography of Catalytic Solids at Work

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5. In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes

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