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Navegando por Autor Braga, Letícia Santos

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Alternative theoretical model based on projection operators of atomic orbitals for description of the basic behavior of amines
Ramalho, Teodorico de Castro; Leal, Daniel Henriques Soares; Almeida, Kátia Julia de; Bachega, José Fernando Ruggiero
Braga, Letícia Santos
23-Abr-2019
★★★★★ (0)
MOLPROJ - Molecular orbital analysis by projection operators
Leal, Daniel Henriques Soares; Braga, Letícia Santos; Silva, Rodrigo Azevedo Moreira da; Ramalho, Teodorico de Castro
28-Mar-2023
★★★★★ (0)
Orbital signatures as a descriptor of regioselectivity and chemical reactivity of organic compounds
Ramalho, Teodorico de Castro; Leal, Daniel Henriques Soares; Aquino, Adélia; Oliveira, Heibbe Cristhian Benedito de; Cunha, Elaine Fontes Ferreira da; Freitas, Matheus Puggina de
Braga, Letícia Santos
11-Out-2023
★★★★★ (0)
Quantification of molecular orbitals based on projection operators: methodological development and applications to basicity prediction of organic compounds in the gas phase
Braga, Letícia Santos; Moreira, Rodrigo A; Leal, Daniel Henriques Soares; Ramalho, Teodorico Castro
15-Mai-2020
★★★★★ (0)
Rationalising the regioselectivity of substituted phenols from the FERMO concept: stereoelectronic effects on protonation and functionalization
Braga, Letícia Santos; Leal, Daniel Henriques Soares; Ramalho, Teodorico Castro
5-Ago-2022
★★★★★ (0)

Mostrando resultados 1 a 5 de 5