Navegando por Assunto Noncovalent interactions

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Data do documentoTítuloAutor(es)
15-Abr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
29-Jan-2013Conformational analysis and intramolecular interactions in aminofluorobenzoic acidsSilla, Josué M.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.
Out-2013Conformational analysis of 1-chloro- and 1-bromo-2-propanolGonçalves, Karla M. S.; Garcia, Danielle R.; Ramalho, Teodorico C.; Figueroa-Villar, José D.; Freitas, Matheus P.
Out-2015Conformational exploration of enflurane in solution and in a biological environmentAndrade, Laize A. F.; Silla, Josué M.; Stephens, Susanna L.; Marat, Kirk; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; van Wijngaarden, Jennifer; Freitas, Matheus P.
2023Molecular dynamics-assisted interaction of vanadium complex-AMPK: from force field development to biological application for Alzheimer’s treatmentTavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
17-Fev-2021A quantitative MO perspective of the chalcogen bondSantos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, Matthias
17-Fev-2021A quantitative molecular orbital perspective of the chalcogen bondSantos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
13-Out-2011Thermal and solvent effects on nmr indirect spin-spin coupling constants of a prototypical chagas disease drugRamalho, Teodorico C.; Pereira, Douglas H.; Thiel, Walter