Examination of the performance of semiempirical methods in QM/MM studies of the SN2-like reaction of an adenylyl group transfer catalysed by ANT4′
Martí, Sergio, Moliner, Vicent, Świderek, KatarzynaVolume:
138
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-019-2507-1
Date:
November, 2019
File:
PDF, 2.64 MB
english, 2019