Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)-oxo porphyrin
Article
Elenewski, Justin E, Hackett, John C. (2013). Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)-oxo porphyrin
. JOURNAL OF COMPUTATIONAL CHEMISTRY, 34(19), 1647-1660. 10.1002/jcc.23311
Elenewski, Justin E, Hackett, John C. (2013). Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)-oxo porphyrin
. JOURNAL OF COMPUTATIONAL CHEMISTRY, 34(19), 1647-1660. 10.1002/jcc.23311