March 27, 1997
Journal Article

Comparison of the Becke-Lee-Yang-Parr and Becke-Perdew-Wang Exchange-Correlation Functionals for Geometries of Cyclopentadienyl-Transition Metal Complexes

Abstract

Revised: May 14, 2019 | Published: March 27, 1997

Citation

McCullough E.A., E.A. McCullough, E. Apra, and J.A. Nichols. 1997. Comparison of the Becke-Lee-Yang-Parr and Becke-Perdew-Wang Exchange-Correlation Functionals for Geometries of Cyclopentadienyl-Transition Metal Complexes. Journal of Physical Chemistry A 101, no. 13:2502-2508. PNNL-SA-28211. doi:10.1021/jp963430d