Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles von Manjunatha, K., Jagadeesha Angadi, V., Ribeiro, Renan A.P., Longo, Elson, Oliveira, Marisa C., Bomio, Mauricio R.D., de Lázaro, Sergio R., Matteppanavar, Shidaling, Rayaprol, S., Babu, P.D., Pasha, Mahaboob

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The antibacterial activity of p-tert-butylcalix[6]arene and its effect on a membrane model: molecular dynamics and Langmuir film studies von Wrobel, Ellen C, de Lara, Lucas S, do Carmo, Taiza A S, Castellen, Patrícia, Lazzarotto, Márcio, de Lázaro, Sérgio R, Camilo, Jr, Alexandre, Caseli, Luciano, Schmidt, Rolf, DeWolf, Christine E, Wohnrath, Karen

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Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties von Oliveira, Marisa C., Ribeiro, Renan A. P., Longo, Elson, Bomio, Mauricio R. D., Lázaro, Sergio R.

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An experimental and theoretical study of the aggregate structure of calix[6]arenes in Langmuir films at the water/air interface von de Lara, Lucas S, Wrobel, Ellen C, Lazzarotto, Márcio, de Lázaro, Sérgio R, Camilo, Alexandre, Wohnrath, Karen

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Enhancing hydrothermal formation of α-MnO2 nanoneedles over nanographite structures obtained by electrochemical exfoliation von Marciniuk, Gustavo, Ferreira, Rodolfo T, Pedroso, Alex V, Ribas, Ariane S, Ribeiro, Renan A P, de Lázaro, Sérgio R, de Souza, Eder C F, Marchesi, Luis F Q, Garcia, Jarem R

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Interaction of para-tert-butylcalix[6]arene molecules in Langmuir films with cadmium ions and their effects on molecular conformation and surface potential von Wrobel, Ellen C, Santos, Poliana M, Lazzarotto, Márcio, Oliveira, Jr, Osvaldo N, Uehara, Thiers M, Miranda, Paulo B, Caseli, Luciano, Garcia, Jarem R, de Lázaro, Sérgio R, Camilo, Jr, Alexandre, Wohnrath, Karen

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Role of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFe2O4 Nanoparticles: Theoretical and Experimental Insights von Cristina de Oliveira, Regiane, Pontes Ribeiro, Renan Augusto, Cruvinel, Guilherme Henrique, Ciola Amoresi, Rafael Aparecido, Carvalho, Maria Helena, Aparecido de Oliveira, Adilson Jesus, Carvalho de Oliveira, Marisa, Ricardo de Lazaro, Sergio, Fernando da Silva, Luís, Catto, Ariadne Cristina, Simões, Alexandre Zirpoli, Sambrano, Julio Ricardo, Longo, Elson

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Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism von Jagadeesha Angadi, V., Manjunatha, K., Oliveira, Marisa C., Longo, Elson, de Lázaro, Sergio R., Ribeiro, Renan A.P., Bhat, S.V.

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Theoretical investigation on the surface and morphological properties of lead nickelate multiferroics: vacancy dependency von da Silveira Lacerda, Luis Henrique, de Lazaro, Sergio Ricardo

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Ba-DOPED ZnO MATERIALS: A DFT SIMULATION TO INVESTIGATE THE DOPING EFFECT ON FERROELECTRICITY von Lacerda, Luis H. da S., Lazaro, Sergio R. de

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Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations von Oliveira, Marisa C., Ribeiro, Renan A. P., Longo, Elson, Bomio, Maurício R. D., Motta, Fabiana V., Lazaro, Sergio R.

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Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3 von Souza, Josiane C, Ribeiro, Renan A. P, G. da Trindade, Letícia, Oliveira, Regiane C. de, D. Costa, Leonardo, C. de Oliveira, Marisa, de Lazaro, Sergio R, Sambrano, Julio R, Mendonça, Cleber R, de Boni, Leonardo, L. Pontes, Fenelon M, de Oliveira, Adilson J. A, Leite, Edson R, Longo, Elson

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Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca 10 V 6 O 25 von Teixeira, Mayara Mondego, de Oliveira, Regiane Cristina, Oliveira, Marisa Carvalho, Pontes Ribeiro, Renan Augusto, de Lazaro, Sergio R, Li, Máximo Siu, Chiquito, Adenilson J, Gracia, Lourdes, Andrés, Juan, Longo, Elson

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DFT simulations to clarify the molecular origin of magnetoelectric coupling in R3c materials based on Fe von Luis Henrique da Silveira Lacerda, de Lazaro, Sergio R

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Synthesis, characterization and anticancer activities of cationic η6-p-cymene ruthenium(II) complexes containing phosphine and nitrogenous ligands von Dimbarre Lao Guimarães, Ivelise, Marszaukowski, Flávia, Buhrer Rutka, Priscila, Felipe Borge, Luis, Augusto Pontes Ribeiro, Renan, Ricardo de Lazaro, Sergio, Castellen, Patrícia, Sagoe-Wagner, Araba, Golsteyn, Roy M., Boeré, René T., Wohnrath, Karen

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First principle investigation of the exposed surfaces and morphology of β-ZnMoO4 von Ribeiro, Renan A. P., Oliveira, Marisa C., de Sousa, Alexsandro Gama, Bomio, Maurício R. D., Motta, Fabiana V., Gracia, Lourdes, de Lazaro, Sergio R., Longo, Elson, Andrés, Juan

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Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25 von Teixeira, Mayara Mondego, de Oliveira, Regiane Cristina, Oliveira, Marisa Carvalho, Pontes Ribeiro, Renan Augusto, de Lazaro, Sergio R, Li, Máximo Siu, Chiquito, Adenilson J, Gracia, Lourdes, Andrés, Juan, Longo, Elson

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Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3 von Marisa Carvalho Oliveira, Pontes Ribeiro, Renan A, Gracia, Lourdes, de Lazaro, Sergio R, de Assis, Marcelo, Oliva, Mónica, Viana Rosa, Ieda L, Maria Fernanda do C Gurgel, Longo, Elson, Andrés, Juan

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Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles von Santiago, Anderson A. G, Oliveira, Marisa C, Ribeiro, Renan A. P, Tranquilin, Ricardo L, Longo, Elson, de Lázaro, Sergio R, Motta, Fabiana V, Bomio, Mauricio R. D

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Integration of experiment and computational modeling on the Tb doping process in CaMoO4 obtained by USP method: An efficient way to obtain photoluminescent materials von Tranquilin, Ricardo L, Oliveira, Marisa Carvalho, Santiago, Anderson A G, Lovisa, Laura X, Ribeiro, Renan A P, Longo, Elson, de Lazaro, Sergio R, Almeida, Cláudio R R, Paskocimas, Carlos A, Motta, Fabiana V, Bomio, Mauricio R D

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