SBQT 2023

PROPOSITION OF CANDIDATES FOR SARS-CoV-2 Mpro INHIBITORS BASED ON MOLECULAR MODELING OF THIAZOLES

SBQT 2023

Assessment of a computational protocol to predict the standard reduction potential of Fe(III) complexes

SBQT 2023

Predicting Pt-195 NMR chemical shift in Pt(II) complexes using the new NMR-ZORA basis sets

SBQT 2023

Computational study of the Tc-99 NMR chemical shift

SBQT 2023

Predicting 49Ti, 51V, and 57Fe NMR chemical shifts using the new NMR-DKH basis sets