Alfredo M. Simas

Spectroscopic properties and design of highly luminescent lanthanide coordination complexes

G.F. de Sá, Oscar L. Malta, Celso de Mello Donegá et al. · Coordination Chemistry Reviews · 2000 · 1.6K citations

Materials Science, Inorganic Chemistry, Spectroscopic Properties +6

RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

Gerd B. Rocha, Ricardo O. Freire, Alfredo M. Simas et al. · Journal of Computational Chemistry · 2006 · 673 citations

The Laplacian of the charge density and its relationship to the shell structure of atoms and ions

Robin P. Sagar, Andrew C. T. Ku, Vedene H. Smith et al. · The Journal of Chemical Physics · 1988 · 140 citations

Engineering, Computational Chemistry, Chemistry +16

Sparkle Model for the Calculation of Lanthanide Complexes:  AM1 Parameters for Eu(III), Gd(III), and Tb(III)

Ricardo O. Freire, Gerd B. Rocha, Alfredo M. Simas · Inorganic Chemistry · 2005 · 135 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +17

A Comprehensive Strategy to Boost the Quantum Yield of Luminescence of Europium Complexes

Nathalia Bezerra de Lima, Simone M. C. Gonçalves, Alfredo M. Simas · Scientific Reports · 2013 · 135 citations · Full text