A Comprehensive Strategy to Boost the Quantum Yield of Luminescence of Europium Complexes von Lima, Nathalia B. D., Gonçalves, Simone M. C., Júnior, Severino A., Simas, Alfredo M.

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Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials von Dutra, José Diogo L, Filho, Manoel A. M, Rocha, Gerd B, Freire, Ricardo O, Simas, Alfredo M, Stewart, James J. P

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The complex build algorithm to set up starting structures of lanthanoid complexes with stereochemical control for molecular modeling von Munguba, Gabriel H. L., Urquiza-Carvalho, Gabriel A., Silva, Frederico T., Simas, Alfredo M.

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A theorized new class of polyhedral hydrocarbons of molecular formula CnHn and their bottom-up scaffold expansions into hyperstructures von Machado, Camila M. B., Lima, Nathalia B. D., Lins, Sóstenes L. S., Simas, Alfredo M.

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Faster Synthesis of Beta-Diketonate Ternary Europium Complexes: Elapsed Times & Reaction Yields von Lima, Nathalia B D, Silva, Anderson I S, Gerson, Jr, P C, Gonçalves, Simone M C, Simas, Alfredo M

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Chemical Partition of the Radiative Decay Rate of Luminescence of Europium Complexes von Lima, Nathalia B. D., Dutra, José Diogo L., Gonçalves, Simone M. C., Freire, Ricardo O., Simas, Alfredo M.

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Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and Lutetium von Filho, Manoel A M, Dutra, José Diogo L, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O

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RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium von Dutra, José Diogo L, Filho, Manoel A M, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O

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Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbium von Filho, Manoel A M, Dutra, José Diogo L, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O

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Europium Complexes: Luminescence Boost by a Single Efficient Antenna Ligand von Silva, Anderson I. S, Lima, Nathalia B. D, Simas, Alfredo M, Gonçalves, Simone M. C

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Photoluminescence of Europium(III) Dithiocarbamate Complexes:  Electronic Structure, Charge Transfer and Energy Transfer von Faustino, Wagner M, Malta, Oscar L, Teotonio, Ercules E. S, Brito, Hermi F, Simas, Alfredo M, de Sá, Gilberto F

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RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I von Rocha, Gerd B., Freire, Ricardo O., Simas, Alfredo M., Stewart, James J. P.

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Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III) von Freire, Ricardo O., Simas, Alfredo M.

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Microwave Synthesis and Luminescence Efficiencies in Mixed-Ligand Europium Complexes von Oliveira, Miriam K N G, Castro, Jr, Gerson P, Gonçalves, Simone M C, Simas, Alfredo M

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Stereoisomerism in Lanthanide Complexes: Enumeration, Chirality, Identification, Random Coordination Ratios von Silva, Frederico T, Lins, Sóstenes L. S, Simas, Alfredo M

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NMR and luminescence experiments reveal the structure and symmetry adaptation of a europium ionic liquid to solvent polarity von Castro, Gerson P, Melo, Lizandra L. L. S, Hallwass, Fernando, Gonçalves, Simone M. C, Simas, Alfredo M

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Europium Luminescence: Electronic Densities and Superdelocalizabilities for a Unique Adjustment of Theoretical Intensity Parameters von Dutra, José Diogo L., Lima, Nathalia B. D., Freire, Ricardo O., Simas, Alfredo M.

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RM1 Model for the Prediction of Geometries of Complexes of the Trications of Eu, Gd, and Tb von Filho, Manoel A. M, Dutra, José Diogo L, Cavalcanti, Higo L. B, Rocha, Gerd B, Simas, Alfredo M, Freire, Ricardo O

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Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes von Filho, Manoel A. M., Dutra, José Diogo L., Rocha, Gerd B., Freire, Ricardo O., Simas, Alfredo M.

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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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