Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.

Jordi Poater Miquel Duran Miquel Solà Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. 1666-1678 2001 22 Journal of Computational Chemistry 14 http://dx.doi.org/10.1002/jcc.1122 db/journals/jcc/jcc22.html#PoaterDS01