Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes

Sérgio Filipe Sousa, Emanuela S. Carvalho, Diana M. Ferreira, Isabel S. Tavares, Pedro Alexandrino Fernandes, Maria João Ramos, José A. N. F. Gomes. Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes. Journal of Computational Chemistry, 30(16):2752-2763, 2009. [doi]

Abstract

Abstract is missing.