Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)–oxo porphyrin
Version of Record online: 14 MAY 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 19, pages 1647–1660, 15 July 2013
How to Cite
How to cite this article: J. Comput. Chem. 2013, 34, 1647–1660. DOI: 10.1002/jcc.23311, , ,
- Issue online: 14 JUN 2013
- Version of Record online: 14 MAY 2013
- Manuscript Accepted: 7 APR 2013
- Manuscript Revised: 18 MAR 2013
- Manuscript Received: 17 AUG 2012
- National Institutes of Health (J.C.H.) . Grant Number: GM092827
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