Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study.

Ma, Zhifeng; Nakatani, Naoki; Hada, Masahiko.

Afiliação

Ma Z; Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Hachioji, Japan.
Nakatani N; Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Hachioji, Japan.
Hada M; Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Hachioji, Japan.

J Comput Chem ; 42(27): 1920-1928, 2021 10 15.

Article em En | MEDLINE | ID: mdl-34448235