Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands-Reference-Cited by-同舟云学术

Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands

Published:2012-12-19 Issue:2 Volume:132 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Emel’yanova Nina,Sanina Nataliya,Krivenko Alexander,Manzhos Roman,Bozhenko Konstantin,Aldoshin Sergey

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-012-1316-6.pdf

Reference39 articles.

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5. Silaghi-Dumitrescu R, Kurtz DM Jr, Ljungdahland LG, Lanzilotta WN (2005) Biochemistry 44:6492–6501

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