Multireference and Multiconfiguration Ab Initio Methods in Heme-Related Systems: What Have We Learned So Far?-Reference-Cited by-同舟云学术

Multireference and Multiconfiguration Ab Initio Methods in Heme-Related Systems: What Have We Learned So Far?

Published:2011-02-24 Issue:8 Volume:115 Page:1727-1742
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chen Hui¹,Lai Wenzhen¹,Shaik Sason¹

Affiliation:

1. Institute of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, Hebrew University of Jerusalem, Givat Ram Campus, 91904 Jerusalem, Israel

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp110016u

Reference196 articles.

1. Poulos, T. L.InThe Porphyrin Handbook;Kadish, K. M., Smith, K. M., Guilard, R., Eds.Academic Press:San Diego, CA, 2000; Vol.4, Chapter 32, pp189−218.

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

3. Reactivity of High-Valent Iron–Oxo Species in Enzymes and Synthetic Reagents: A Tale of Many States

4. Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum

5. One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymes

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