MOHLYP2-PSI4

FUNCTIONAL NAME: MOHLYP2-PSI4


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Functional for barrier heights. Psi4 variant.




REFERENCES


J. Zheng, Y. Zhao, and D. G. Truhlar., J. Chem. Theory Comput. 5, 808 (2009)

DOI: 10.1021/ct800568m