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Da Silva HC, De Almeida WB. (2024) On the use OF H-NMR chemical shifts and thermodynamic data for the prediction of the predominant conformation of organic molecules in solution: the example of the flavonoid rutin. Rsc Advances. 14: 19619-19635
Da Silva HC, Hernandes IS, De Almeida WB. (2023) Quantum Chemical Investigation of the Interaction of Thalidomide Monomeric, Dimeric, Trimeric, and Tetrameric Forms with Guanine DNA Nucleotide Basis in DMSO and Water Solution: A Thermodynamic and NMR Spectroscopy Analysis. Acs Omega. 8: 37521-37539
Hernandes IS, Da Silva HC, Dos Santos HF, et al. (2023) Quantum chemical investigation of predominant conformation of the antibiotic azithromycin in water and DMSO solutions: thermodynamic and NMR analysis. Royal Society Open Science. 10: 230409
Hernandes IS, Da Silva HC, Dos Santos HF, et al. (2022) An investigation of the predominant structure of antibiotic azithromycin in chloroform solution through NMR and thermodynamic analysis. Physical Chemistry Chemical Physics : Pccp
Hernandes IS, Da Silva HC, Dos Santos HF, et al. (2021) Unveiling the Molecular Structure of Antimalarial Drugs Chloroquine and Hydroxychloroquine in Solution through Analysis of H NMR Chemical Shifts. The Journal of Physical Chemistry. B
De Souza LA, Almeida ER, Cunha E Silva JH, et al. (2020) H and Pt NMR prediction for inclusion compounds formed by cisplatin and oxidized carbon nanostructures. Rsc Advances. 11: 599-611
Hernandes IS, Da Silva HC, Dos Santos HF, et al. (2020) Conformational Analysis of 5,4'-Dihydroxy-7,5',3'-Trimethoxyisoflavone in Solution Using H NMR: A DFT Approach. The Journal of Physical Chemistry. A
Da Silva HC, De Souza LA, Dos Santos HF, et al. (2020) Determination of Anticancer Zn(II)-Rutin Complex Structures in Solution through Density Functional Theory Calculations of H NMR and UV-VIS Spectra. Acs Omega. 5: 3030-3042
Almeida E, De Souza LA, De Almeida WB, et al. (2019) CHEMICALLY MODIFIED CARBON NANOHORNS AS NANOVECTORS OF THE CISPLATIN DRUG: A MOLECULAR DYNAMICS STUDY. Journal of Chemical Information and Modeling
Almeida ER, De Souza LA, De Almeida WB, et al. (2019) Molecular dynamics of carbon nanohorns and their complexes with cisplatin in aqueous solution. Journal of Molecular Graphics & Modelling. 89: 167-177
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