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DFT Study on the Electronic Properties, Spectroscopic Profile, and Biological Activity of 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole with Anticancer Properties
[Image: see text] Extensive investigation on the molecular and electronic structure of 2-amino-5-trifluoromethyl-1,3,4-thiadiazole in the ground state and in the first excited state has been performed. The energy barrier corresponding to the conversion between imino and amino tautomers has been calc...
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| Pubblicato in: | ACS Omega |
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| Autori principali: | , , , , , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American
Chemical Society
2020
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7689922/ https://ncbi.nlm.nih.gov/pubmed/33251442 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c04474 |
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