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Journal of Computational Chemistry|August 19, 2005
Modeling lanthanide complexes: sparkle/AM1 parameters for ytterbium (III)Ricardo O Freire, Gerd B Rocha, Alfredo M SimasInorganic Chemistry|April 26, 2005
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 SimasJournal of Molecular Modeling|February 9, 2006
Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculationsRicardo O Freire, Gerd B Rocha, Alfredo M SimasThe Journal of Physical Chemistry. A|April 28, 2006
Sparkle/AM1 structure modeling of lanthanum (III) and lutetium (III) complexesRicardo O Freire, Nivan B da Costa, Gerd B Rocha, et al.Journal of Chemical Theory and Computation|December 3, 2015
Sparkle/AM1 Parameters for the Modeling of Samarium(III) and Promethium(III) ComplexesRicardo O Freire, Nivan B da Costa, Gerd B Rocha, et al.Journal of Chemical Theory and Computation|December 4, 2015
Sparkle/PM3 Parameters for the Modeling of Neodymium(III), Promethium(III), and Samarium(III) ComplexesRicardo O Freire, Nivan B da Costa, Gerd B Rocha, et al.The Journal of Physical Chemistry. A|May 18, 2007
Structure modeling of trivalent lanthanum and lutetium complexes: Sparkle/PM3Nivan B da Costa, Ricardo O Freire, Alfredo M Simas, et al.Journal of Computational Chemistry|May 13, 2006
RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and IGerd B Rocha, Ricardo O Freire, Alfredo M Simas, et al.Journal of Chemical Theory and Computation|December 1, 2015
Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III)Ricardo O Freire, Alfredo M SimasPlos One|July 2, 2015
RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and PraseodymiumJosé Diogo L Dutra, Manoel A M Filho, Gerd B Rocha, et al.Pageof 8