Joint Use of Bonding Evolution Theory and QM/MM Hybrid Method for Understanding the Hydrogen Abstraction Mechanism via Cytochrome P450 Aromatase
Author:
Affiliation:
1. Departament de Química Física i Analítica, Universitat Jaume I, 12071, Castellón, Spain
Funder
Generalitat Valenciana
Ministerio de Economía y Competitividad
Fundación Bancaja
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct501030q
Reference72 articles.
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4. Bonding Patterns in Intermetallic Compounds
5. ELF: The Electron Localization Function
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