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DFT and molecular docking investigations of oxicam derivatives
The organic molecule tenoxicam and similar derivatives, piroxicam and isoxicam have been studied by quantum chemical theory (DFT), FT-Raman and FT-IR. By FMOs energies the charge transfer inside the molecules are obtained. The UV-Vis spectra of the compounds are simulated to study the electronic tra...
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| Pubblicato in: | Heliyon |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Elsevier
2019
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6667822/ https://ncbi.nlm.nih.gov/pubmed/31388594 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e02175 |
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