Navegando por Autor La Porta, Felipe A.

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18-Mar-2021Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infectionAssis, Letícia C.; Castro, Alexandre A. de; Jesus, João P. A. de; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.; La Porta, Felipe A.
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
Abr-2015Fe-DPA as catalyst for oxidation of organic contaminants: evidence of homogeneous fenton processRamos, Paulize H.; La Porta, Felipe A.; Resende, Eliane C. de; Giacoppo, Juliana O. S.; Guerreiro, Mario C.; Ramalho, Teodorico C.
2022New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 VirusCastro, Alexandre A. de; Assis, Letícia C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; La Porta, Felipe A.
2016Novas perspectivas sobre o papel dos orbitais moleculares de fronteira no estudo da reatividade química: uma revisãoPereira, Douglas Henrique; La Porta, Felipe A.; Santiago, Regis Tadeu; Garcia, Danielle R.; Ramalho, Teodorico C.
2011Orbital signatures as a descriptor of regioselectivity and chemical reactivity: the role of the frontier orbitals on 1,3-dipolar cycloadditionsLa Porta, Felipe A.; Ramalho, Teodorico C.; Santiago, Régis T.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
2015Quantum chemical topological analysis of hydrogen bonding in HX... HX and CH3X... HX dimers (X = Br, Cl, F)Cormanich, Rodrigo A.; Santiago, Régis T.; La Porta, Felipe A.; Freitas, Matheus P.; Rittner, Roberto; Cunha, Elaine F. F. da; Andres, Juan; Longo, Elson; Ramalho, Teodorico C.
Mai-2014Structural, electronic and optical properties of Fe (III) complex with pyridine-2,6-dicarboxylic acid: a combined experimental and theoretical studyLa Porta, Felipe A.; Ramos, Paulize H.; Resende, Eliane C.de; Guerreiro, Mario C.; Giacoppo, Juliana O.S.; Ramalho, Teodorico C.; Sambrano, Julio R.; Andrés, Juan; Longo, Elson
2019Synthesis and comparison of antileishmanial and cytotoxic activities of S-(−)-limonene benzaldehyde thiosemicarbazones with their R-(+)-analoguesBatista, Sabrina A. Almeida; Vandresen, Fábio; Falzirolli, Hugo; Britta, Elizandra; Oliveira, Diogo N. de; Catharino, Rodrigo R.; Gonçalves, Mateus A.; Ramalho, Teodorico C.; La Porta, Felipe A.; Nakamura, Celso V.; Silva, Cleuza C. da
Set-2010The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniquesLa Porta, Felipe A.; Santiago, Regis T.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da