KKJT9

FUNCTIONAL NAME: KKJT9


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: hybrid fitted to carbon NMR shifts




REFERENCES


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

DOI: 10.1021/ct6001016