Haroldo C. Da Silva

Theoretical calculations of 1H NMR chemical shifts for nitrogenated compounds in chloroform solution

Haroldo C. Da Silva, Wagner B. De Almeida · Chemical Physics · 2019 · 50 citations

Natural Sciences, Chemistry, Physics +6

Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of ¹H NMR Chemical Shifts

Leonardo A. De Souza, Haroldo C. Da Silva, Wagner B. De Almeida · ChemistryOpen · 2018 · 33 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +16

Determination of Anticancer Zn(II)–Rutin Complex Structures in Solution through Density Functional Theory Calculations of¹H NMR and UV–VIS Spectra

Haroldo C. Da Silva, Leonardo A. De Souza, Hélio F. Dos Santos et al. · ACS Omega · 2020 · 26 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +14

A theoretical investigation on the encapsulation process of mepivacaine into β-cyclodextrin

Paulo Henrique S. Paulino, Sara Maria R. de Sousa, Haroldo C. Da Silva et al. · Chemical Physics Letters · 2019 · 21 citations

Pharmacy, Pharmaceutics, Pharmacology +10

Thermodynamic and structural description of relative solubility of the flavonoid rutin by DFT calculations and molecular dynamics simulations

Haroldo C. Da Silva, Andrew S. Paluch, Luciano T. Costa et al. · Journal of Molecular Liquids · 2021 · 21 citations

Natural Sciences, Chemistry, Physics +17