Silvia Antonia Brandán

Research interests

Publications

• Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

  Heliyon · 2021 · 10.1016/j.heliyon.2021.e08204

• 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies

  Journal of Molecular Structure · 2021 · 10.1016/j.molstruc.2021.130005

• Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

  Journal of Molecular Structure · 2020 · 10.1016/j.molstruc.2020.127762

• Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

  Heliyon · 2020 · 10.1016/j.heliyon.2020.e04640

• Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide

  Journal of Molecular Structure · 2020 · 10.1016/j.molstruc.2020.129072

• Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

  Computational Biology and Chemistry · 2020 · 10.1016/j.compbiolchem.2020.107311

• Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide

  Journal of Molecular Structure · 2020 · 10.1016/j.molstruc.2020.128541

• Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)

  Journal of Molecular Structure · 2019 · 10.1016/j.molstruc.2019.127351

• Rollinia occidentalis extract as green corrosion inhibitor for carbon steel in HCl solution

  Journal of Industrial and Engineering Chemistry · 2017 · https://doi.org/10.1016/j.jiec.2017.09.012

• Structural and spectroscopic study of a pectin isolated from citrus peel by using FTIR and FT-Raman spectra and DFT calculations

  Infrared Physics & Technology · 2016 · 10.1016/j.infrared.2016.03.009

• A complete characterization of the vibrational spectra of sucrose

  Carbohydrate Research · 2012 · 10.1016/j.carres.2012.07.009

• Vibrational Study and Force Field of the Citric Acid Dimer Based on the SQM Methodology

  Advances in Physical Chemistry · 2011 · 10.1155/2011/347072

Current projects

No projects listed.