A Comprehensive Strategy to Boost the Quantum Yield of Luminescence of Europium Complexes
Lima, Nathalia B. D., Gonçalves, Simone M. C., Júnior, Severino A., Simas, Alfredo M.
Published in Scientific reports (09.08.2013)
Published in Scientific reports (09.08.2013)
Get full text
Journal Article
The complex build algorithm to set up starting structures of lanthanoid complexes with stereochemical control for molecular modeling
Munguba, Gabriel H. L., Urquiza-Carvalho, Gabriel A., Silva, Frederico T., Simas, Alfredo M.
Published in Scientific reports (02.11.2021)
Published in Scientific reports (02.11.2021)
Get full text
Journal Article
Faster Synthesis of Beta-Diketonate Ternary Europium Complexes: Elapsed Times & Reaction Yields
Lima, Nathalia B D, Silva, Anderson I S, Gerson, Jr, P C, Gonçalves, Simone M C, Simas, Alfredo M
Published in PloS one (28.12.2015)
Published in PloS one (28.12.2015)
Get full text
Journal Article
Europium Complexes: Luminescence Boost by a Single Efficient Antenna Ligand
Silva, Anderson I. S, Lima, Nathalia B. D, Simas, Alfredo M, Gonçalves, Simone M. C
Published in ACS omega (31.10.2017)
Published in ACS omega (31.10.2017)
Get full text
Journal Article
RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium
Dutra, José Diogo L, Filho, Manoel A M, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O
Published in PloS one (01.07.2015)
Published in PloS one (01.07.2015)
Get full text
Journal Article
Photoluminescence of Europium(III) Dithiocarbamate Complexes: Electronic Structure, Charge Transfer and Energy Transfer
Faustino, Wagner M, Malta, Oscar L, Teotonio, Ercules E. S, Brito, Hermi F, Simas, Alfredo M, de Sá, Gilberto F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2006)
Get full text
Journal Article
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I
Rocha, Gerd B., Freire, Ricardo O., Simas, Alfredo M., Stewart, James J. P.
Published in Journal of computational chemistry (30.07.2006)
Published in Journal of computational chemistry (30.07.2006)
Get full text
Journal Article
Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III)
Freire, Ricardo O., Simas, Alfredo M.
Published in Journal of chemical theory and computation (13.07.2010)
Published in Journal of chemical theory and computation (13.07.2010)
Get full text
Journal Article
NMR and luminescence experiments reveal the structure and symmetry adaptation of a europium ionic liquid to solvent polarity
Castro, Gerson P, Melo, Lizandra L. L. S, Hallwass, Fernando, Gonçalves, Simone M. C, Simas, Alfredo M
Published in Dalton transactions : an international journal of inorganic chemistry (27.07.2021)
Published in Dalton transactions : an international journal of inorganic chemistry (27.07.2021)
Get full text
Journal Article
RM1 Model for the Prediction of Geometries of Complexes of the Trications of Eu, Gd, and Tb
Filho, Manoel A. M, Dutra, José Diogo L, Cavalcanti, Higo L. B, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O
Published in Journal of chemical theory and computation (12.08.2014)
Published in Journal of chemical theory and computation (12.08.2014)
Get full text
Journal Article