M0P2 and M2P2 embedding potentials for polarizable density embedding and polarizable embedding calculations based on the QM/MM-MD trajectory of aqueous 4-nitrophenolate. The potentials were calculate
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ... Authors: Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen
M0P2 and M2P2 embedding potentials for polarizable density embedding and polarizable embedding calculations based on the QM/MM-MD trajectory of aqueous 4-nitrophenolate. The potentials were calculate
