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)
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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)
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Use of organocatalysis for the synthesis of phenyl-hydroxylated-butyric acids
Sakukuma, Maria C.K., Filho, Manoel A.M., Rivelino, Roberto, Victor, Mauricio M.
Published in Tetrahedron letters (22.10.2020)
Published in Tetrahedron letters (22.10.2020)
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Semiempirical Quantum Chemistry Model for the Lanthanides: RM1
Filho, Manoel A. M, Dutra, José Diogo L, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O
Published in PloS one (31.01.2014)
Published in PloS one (31.01.2014)
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RM1 modeling of neodymium, promethium, and samarium coordination compoundsElectronic supplementary information (ESI) available: Instructions on how to run the Nd(iii), Pm(iii), and Sm(iii) RM1 model for the lanthanides in Mopac2012; additional tables and figures; Mopac sample input (.mop) and optimized geometry summary output (.arc) files. See DOI: 10.1039/c4ra12682c
Filho, Manoel A. M, Dutra, José Diogo L, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O
Year of Publication 22.01.2015
Year of Publication 22.01.2015
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RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium: e0124372
Dutra, Jose DiogoL, Filho, Manoel AM, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O
Published in PloS one (01.07.2015)
Published in PloS one (01.07.2015)
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Journal Article