QM/MM Calculations Reveal Important Role of α-Heteroatom Substituents in Controlling Selectivity of Mononuclear Nonheme HppE-Catalyzed Reactions
Lu, Jiarui, Wang, Binju, Shaik, Sason, Lai, WenzhenJournal:
ACS Catalysis
DOI:
10.1021/acscatal.0c01803
Date:
July, 2020
File:
PDF, 1.06 MB
2020