SBQT 2023

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

SBQT 2023

Theoretical Investigation of Regiodivergent Addition of Anilines and Phenolates to p-Benzoquinone Ring

SBQT 2023

Predição da hidrólise dos elementos de terras raras e a coordenação com sulfato.

SBQT 2021

PREDICTING Co-59 NMR CHEMICAL SHIFT USING THE NMR-DKH BASIS SETS

SBQT 2021

Thermodynamic and Structural Description of Relative Solubility of Rutin by DFT Calculations and Molecular Dynamics Simulations