QAC-K2

FUNCTIONAL NAME: QAC-K2


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: B3LYP-MCM1




REFERENCES


M. T. Caldeira and R. Custodio., J. Mol. Model. 25, 62 (2019)

DOI: 10.1007/s00894-019-3952-4