Structure and bonding in NbX5 X = (F, Cl, Br and I) complexes: a molecular orbital perspective in the C–H bond activation von Silva, Telles Cardoso, Pires, Maíra dos Santos, de Castro, Alexandre Alves, Lacerda, Lívia Clara Tavares, Rocha, Marcus Vinícius Juliaci, Ramalho, Teodorico Castro

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Applications in environmental bioinorganic: Nutritional and ultrastructural evaluation and calculus of thermodynamic and structural properties of metal-oxalate complexes von Tolentino, Terezinha Alves, Bertoli, Alexandre Carvalho, dos Santos Pires, Maíra, Carvalho, Ruy, Labory, Claudia Regina Gontijo, Nunes, Janaira Santana, Bastos, Ana Rosa Ribeiro, de Freitas, Matheus Puggina

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Methane Activation by CoOmn+ (n=0, 1, 2; m= 1, 2): Reactivity Parameters, Electronic Properties and Binding Energy Analysis von Silva, Telles Cardoso, dos Santos Pires, Maíra, de Castro, Alexandre Alves, Lacerda, Lívia Clara Tavares, Rocha, Marcus Vinícius Juliaci, Ramalho, Teodorico Castro

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Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane C–H bond activation von Silva, Telles Cardoso, de Almeida, Katia Júlia, dos Santos Pires, Maíra, de Castro, Alexandre Alves, Gonçalves, Mateus Aquino, da Cunha, Elaine Fontes Ferreira, Ramalho, Teodorico Castro

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Oxidative dehydration reaction of glycerol into acrylic acid: A first-principles prediction of structural and thermodynamic parameters of a bifunctional catalyst von Lacerda, Lívia Clara T., dos Santos Pires, Maíra, Corrêa, Silviana, Oliveira, Luiz Carlos A., Ramalho, Teodorico C.

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Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculations von Silva, Telles Cardoso, dos Santos Pires, Maíra, de Castro, Alexandre Alves, da Cunha, Elaine F. F., Caetano, Melissa Soares, Ramalho, Teodorico C.

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Experimental and theoretical study on the reactivity of maghemite doped with Cu in oxidation reactions: structural and thermodynamic properties towards a Fenton catalyst von Pires, Mara dos Santos, Nogueira, Francisco G. E, Torres, Juliana A, Lacerda, Lvia C. T, Corra, Silviana, Pereira, Mrcio C, Ramalho, Teodorico C

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Methane Activation by (n=0, 1, 2; m= 1, 2): Reactivity Parameters, Electronic Properties and Binding Energy Analysis von Silva, Telles Cardoso, dos Santos Pires, Maíra, de Castro, Alexandre Alves, Lacerda, Lívia Clara Tavares, Rocha, Marcus Vinícius Juliaci, Ramalho, Teodorico Castro

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Iron Oxides Applied to Catalysis von Pires, Maíra dos Santos, Lacerda, Lívia Clara Tavares, Corrêa, Silviana, Silva, Telles Cardoso, de Castro, Alexandre Alves, Ramalho, Teodorico C.

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Experimental and theoretical study on the reactivity of maghemite doped with Cu 2+ in oxidation reactions: structural and thermodynamic properties towards a Fenton catalyst von Pires, Maíra dos Santos, Nogueira, Francisco G. E., Torres, Juliana A., Lacerda, Lívia C. T., Corrêa, Silviana, Pereira, Márcio C., Ramalho, Teodorico C.

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Experimental and theoretical study on the reactivity of maghemite doped with Cu2+ in oxidation reactions: structural and thermodynamic properties towards a Fenton catalyst von Pires, Maira dos Santos, Nogueira, Francisco GE, Torres, Juliana A, Lacerda, Livia CT, Correa, Silviana, Pereira, Marcio C, Ramalho, Teodorico C

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Estratégias didáticas em aulas de botânica utilizando a coleção de frutos von Pires, Camila dos Santos, Souza, Hynder Lima de, Barbosa, Rhuanda Saraiva, Rabelo, Thauana Oliveira, Sousa, Felipe Correa, Diniz, Maira Rodrigues, Silva, Ariade Nazaré Fontes da, Almeida Júnior, Eduardo Bezerra de

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