WC04-QCHEM

FUNCTIONAL NAME: WC04-QCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: hybrid fitted to carbon NMR shifts. QChem variant.




REFERENCES


K. W. Wiitala, T. R. Hoye, and C. J. Cramer., J. Chem. Theory Comput. 2, 1085-1092 (2006)

DOI: 10.1021/ct6001016