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  Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex

Römelt, M., Krewald, V. L., & Pantazis, D. A. (2018). Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. Journal of Chemical Theory and Computation, 14(1), 166-179. doi:10.1021/acs.jctc.7b01035.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0005-975E-8 Version Permalink: https://hdl.handle.net/21.11116/0000-0005-975F-7
Genre: Journal Article

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 Creators:
Römelt, Michael1, Author           
Krewald, Vera Lucia2, Author           
Pantazis, Dimitrios A.2, Author           
Affiliations:
1External Organizations, ou_persistent22              
2Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society, ou_3023879              

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Language(s): eng - English
 Dates: 2018
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 735582
ISI: 000419998300015
DOI: 10.1021/acs.jctc.7b01035
 Degree: -

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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
 Creator(s):
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 14 (1) Sequence Number: - Start / End Page: 166 - 179 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832