Alfredo Mayall Simas
Affiliations: | Department of Fundamental Chemistry | Federal University of Pernambuco, Brazil |
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Parents
Sign in to add mentor| Richard Edwin Brown | grad student | 1976-1977 | University of Campinas - UNICAMP | |
| (Master's degree) | ||||
| Vedene H. Smith | grad student | 1978-1982 | Queen's University at Kingston | |
| (Doctoral degree) | ||||
Children
Sign in to add trainee| Ricardo Oliveira Freire | grad student | 2004-2007 | Federal University of Pernambuco |
| Agrinaldo Jacinto do Nascimento Junior | grad student | 2007-2009 | Federal University of Pernambuco |
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Publications
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| Munguba GHL, Urquiza-Carvalho GA, Silva FT, et al. (2021) The complex build algorithm to set up starting structures of lanthanoid complexes with stereochemical control for molecular modeling. Scientific Reports. 11: 21493 |
| Silva FT, Lins SLS, Simas AM. (2018) Stereoisomerism in Lanthanide Complexes: Enumeration, Chirality, Identification, Random Coordination Ratios. Inorganic Chemistry. 57: 10557-10567 |
| Silva FT, Lins SLS, Simas AM. (2018) Stereoisomerism in Lanthanide Complexes: Enumeration, Chirality, Identification, Random Coordination Ratios. Inorganic Chemistry. 57: 10557-10567 |
| Lima NBD, Rocha GB, Freire RO, et al. (2018) RM1 Semiempirical Model: Chemistry, Pharmaceutical Research, Molecular Biology and Materials Science Journal of the Brazilian Chemical Society. 30: 683-716 |
| Filho MA, Dutra JD, Rocha GB, et al. (2016) Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and Lutetium. Plos One. 11: e0154500 |
| Lima NB, Dutra JD, Gonçalves SM, et al. (2016) Chemical Partition of the Radiative Decay Rate of Luminescence of Europium Complexes. Scientific Reports. 6: 21204 |
| Lima NBD, Dutra JDL, Goncalves SMC, et al. (2016) Chemical partition of the radiative decay rate of luminescence of europium complexes Scientific Reports. 6 |
| Dutra JD, Lima NB, Freire RO, et al. (2015) Europium Luminescence: Electronic Densities and Superdelocalizabilities for a Unique Adjustment of Theoretical Intensity Parameters. Scientific Reports. 5: 13695 |
| Dutra JD, Filho MA, Rocha GB, et al. (2015) RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium. Plos One. 10: e0124372 |
| Filho MAM, Dutra JDL, Rocha GB, et al. (2015) RM1 modeling of neodymium, promethium, and samarium coordination compounds Rsc Advances. 5: 12403-12408 |