Spectroscopic properties and design of highly luminescent lanthanide coordination complexes von de Sá, G.F, Malta, O.L, de Mello Donegá, C, Simas, A.M, Longo, R.L, Santa-Cruz, P.A, da Silva, E.F

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Sparkle Model for the Calculation of Lanthanide Complexes:  AM1 Parameters for Eu(III), Gd(III), and Tb(III) von Freire, Ricardo O, Rocha, Gerd B, Simas, Alfredo M

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Sparkle/AM1 Parameters for the Modeling of Samarium(III) and Promethium(III) Complexes von Freire, Ricardo O, da Costa, Nivan B, Rocha, Gerd B, Simas, Alfredo M

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Sparkle model for AM1 calculation of neodymium(III) coordination compounds von Bastos, Cristiano C., Freire, Ricardo O., Rocha, Gerd B., Simas, Alfredo M.

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Efficacy of the semiempirical sparkle model as compared to ECP ab-initio calculations for the prediction of ligand field parameters of europium (III) complexes von Freire, Ricardo O., Rocha, Gerd B., Albuquerque, Rodrigo Q., Simas, Alfredo M.

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Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III) von Freire, Ricardo O., Rocha, Gerd B., Simas, Alfredo M.

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Modeling rare earth complexes: Sparkle/AM1 parameters for thulium (III) von Freire, Ricardo O., Rocha, Gerd B., Simas, Alfredo M.

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Modeling lanthanide coordination compounds: Sparkle/AM1 parameters for praseodymium (III) von Freire, Ricardo O., da Costa, Nivan B., Rocha, Gerd B., Simas, Alfredo M.

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Lack of evidence of dilution history-dependence upon solute aggregation in water. A nuclear magnetic resonance determination of self-diffusion coefficients von Hallwass, Fernando, Engelsberg, M., Simas, A. M.

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Exact topological twistons in crystalline polyethylene von Ventura, E., Simas, A.M., Bazeia, D.

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Self-diffusion of Alkali Ions in Aqueous Solutions of Crown Ether Complexes von Hallwass, Fernando, Engelsberg, M, Simas, A. M

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Mesoionic rings as efficient asymmetric bridges for the design of compounds with large optical nonlinearities von Moura, Gustavo L.C., Simas, Alfredo M., Miller, Joseph

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Sparkle/AM1 modeling of holmium (III) complexes von da Costa, Nivan B., Freire, Ricardo O., Rocha, Gerd B., Simas, Alfredo M.

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Diffusion, reaction kinetics and exchange of sodium in aqueous solutions containing a crown ether von Hallwass, Fernando, Engelsberg, M., Simas, A.M., Barros, Wilson

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Two-photon absorption in mesoionic compounds pumped at the visible and at the infrared von Rakov, N, de Araújo, Cid B, da Rocha, G.B, Simas, A.M, Athayde-Filho, P.A.F, Miller, J

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Mesoionic Compounds: Amphiphilic Heterocyclic Betaines von de Athayde-Filho, Petrônio Filgueiras, Miller, Joseph, Mayall Simas, Alfredo

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Reverse saturable absorption and anti-Stokes fluorescence in mesoionic compounds pumped at 532 nm von Rakov, N, de Araújo, C B, Rocha, G B, Simas, A M, Athayde-Filho, P A, Miller, J

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Mesoionic rings as third-order non-linear optical materials von Bezerra, A.G, Gomes, A.S.L, Athayde-Filho, P.F, da Rocha, G.B, Miller, J, Simas, A.M

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Are mesoionic compounds aromatic? von Simas, Alfredo Mayall, Miller, Joseph, de Athayade Filho, Petrônio Filgueiras

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The Laplacian of the charge density and its relationship to the shell structure of atoms and ions von Sagar, Robin P., Ku, Andrew C. T., Smith, Vedene H., Simas, Alfredo M.

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