Quantifying Electronic Effects in QM and QM/MM Biomolecular Modeling with the Fukui Function
QI Helena W.,KARELINA Maria,KULIK Heather J
Quantifying Electronic Effects in QM and QM/MM Biomolecular Modeling with the Fukui Function
Helena W. QI,Maria KARELINA,Heather J KULIK
物理化学学报 . 2018, (1): 81 -91 .  DOI: 10.3866/PKU.WHXB201706303