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DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses.
- Published in:
- Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05279-5
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- Article
Investigation of fused remote N-heterocyclic silylenes (frNHSis), at DFT.
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- Journal of Molecular Modeling, 2021, v. 27, n. 10, p. 1, doi. 10.1007/s00894-021-04899-7
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- Article
Solvent effect on cycloaddition of C<sub>20</sub> nanofullerene with indoline‐2‐one, at density functional theory.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 9, p. 1, doi. 10.1002/poc.4354
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- Article
The effects of heteroatom substituents on structure, stability, and electronic properties of remote N‐heterocyclic germylenes (rNHGes), at DFT.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 7, p. 1, doi. 10.1002/poc.4349
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- Article
Stereoselective cycloaddition of biologically active thioindoline with the smallest nanocage in gas phase versus solution via density functional theory.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 9, p. 1, doi. 10.1002/poc.4390
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- Article
Substituent effects of fused Hammick silylenes via density functional theory survey.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 11, p. 1, doi. 10.1002/poc.4264
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- Article
Photophysical Properties and Kinetic Studies of 2-Vinylpyridine-Based Cycloplatinated(II) Complexes Containing Various Phosphine Ligands †.
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- Molecules, 2021, v. 26, n. 7, p. 2034, doi. 10.3390/molecules26072034
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- Article
Lettuce as an Effective Remedy in Uremic Pruritus: Review of the Literature Supplemented by an In Silico Study.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2022, p. 1, doi. 10.1155/2022/4231854
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- Article