DFT and Ab Initio Study of Iron-Oxo Porphyrins: May They Have a Low-Lying Iron(V)-Oxo Electromer?-Reference-Cited by-同舟云学术

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DFT and Ab Initio Study of Iron-Oxo Porphyrins: May They Have a Low-Lying Iron(V)-Oxo Electromer?

Published:2011-03-23 Issue:4 Volume:7 Page:898-908
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Radoń Mariusz¹,Broclawik Ewa²,Pierloot Kristine³

Affiliation:

1. Faculty of Chemistry, Jagiellonian University, ul. Ingardena 3, 30-060 Kraków, Poland

2. Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, ul. Niezapominajek 8, 30-239 Kraków, Poland

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct1006168

Reference90 articles.

1. Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes

2. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

3. Kinetic studies of reactions of iron(IV)-oxo porphyrin radical cations with organic reductants

4. Chemical and Spectroscopic Evidence for an Fe V -Oxo Complex

5. Biomimetic Hydrocarbon Oxidation Catalyzed by Nonheme Iron(III) Complexes with Peracids: Evidence for an FeVO Species

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