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Data do documentoTítuloAutor(es)
Dez-2017DFT study on the complexation of anions with 1,4,7,10,13,16-hexaazacyclooctodeca-2,5,8,11,14,17-hexaeneAndrade, Laize A. F.; Silla, Josué M.; Mendonça, João Guilherme P.; Freitas, Matheus P.
2020Perspectives on the role of the frontier effective-for-reaction molecular orbital (FERMO) in the study of chemical reactivity: an updated reviewBraga, Letícia S.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
2011Spectroscopy: a tool for conformational analysisTormena, Cláudio F.; Cormanich, Rodrigo A.; Rittner, Roberto
2016Combined experimental and theoretical study on the removal of pollutant compounds by peroxidases: affinity and reactivity toward a bioremediation catalystSilva, Maria Cristina; Torres, Juliana Arriel; Castro, Alexandre A.; Cunha, Elaine F. F. da; Oliveira, Luiz Carlos Alves de; Corrêa, Angelita Duarte; Ramalho, Teodorico C.
Ago-2019Disarming Pseudomonas aeruginosa Virulence by the Inhibitory Action of 1,10-Phenanthroline-5,6-Dione-Based Compounds: Elastase B (LasB) as a Chemotherapeutic TargetGaldino, Anna Clara Milesi; Viganor, Lívia; Castro, Alexandre Alves de; Cunha, Elaine F. F. da; Mello, Thaís P.; Feijó, Larissa Mattos; Pereira, Marcos D.; Hunt, Mary C.; O'Shaughnessy, Megan Sarah; Howe, Orla; Michael, Devereux; McCann, Malachy; Ramalho, Teodorico de Castro; Branquinha, Marta Helena; Santos, André L. S.
Jul-2009Hydrogen bonding and stereoelectronic effects in the conformational isomerism of trans-2-BromocyclohexanolDuarte, Claudimar J.; Freitas, Matheus P.
Fev-2017Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane c-h bond activationSilva, Telles Cardoso; Almeida, Katia Júlia de; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Gonçalves, Mateus Aquino; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico Castro
Jan-2019Tautomerism and conformational analysis in 3-fluoropiperidin-2-one inform on F···HO intramolecular hydrogen bondSilla, Josué M.; Freitas, Matheus P.
Jan-2017Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probesGonçalves, Mateus A.; Santos, Lizandro S.; Prata, Diego M.; Peixoto, Fernando C.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.
15-Jun-2016Theoretical and NMR experimental insights on urea, thiourea and diindolyurea as fluoride carriersMendonça, João Guilherme P.; Silla, Josué M.; Andrade, Laize A. F.; Fernandes, Sergio A.; Cormanich, Rodrigo A.; Freitas, Matheus P.