MOHLYP-NWCHEM

FUNCTIONAL NAME: MOHLYP-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Functional for organometallic chemistry. NWChem variant.




REFERENCES


N. E. Schultz, Y. Zhao, and D. G. Truhlar., J. Phys. Chem. A 109, 11127 (2005)

DOI: 10.1021/jp0539223