Search Results - "Martins, Mateus JF"

Simulation of the chemical interactions of luminescent lanthanide complexes series [Ln(cin)3(H2O)3]·Hcin and [Ln2(cin)6(bpy)2] using DFT calculations by Martins, Mateus J.F., Marques, Lippy F., Tavares, Sérgio R., Machado, Flávia C., Quirino, Welber G., Leitão, Alexandre A.

“…In this work, DFT calculations were conducted to understand the electronic structure of the two luminescent complexes series, named [Ln(cin)3(H2O)3]·Hcin and…”
Get full text

Direct comparison between two [gamma]-alumina structural models by DFT calculations by Ferreira, Ary R, Martins, Mateus JF, Konstantinova, Elena, Capaz, Rodrigo B, Souza, Wladmir F, Chiaro, Sandra Shirley X, Leitao, Alexandre A

“…We selected two important [gamma]-alumina models proposed in literature, a spinel-like one and a nonspinel one, to perform a theoretical comparison. Using ab…”
Get full text