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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Publicado en:ACS Omega
Autores principales: Singh, Isha, Al-Wahaibi, Lamya H., Srivastava, Ruchi, Prasad, Onkar, Pathak, Shilendra K., Kumar, Saurabh, Parveen, Shama, Banerjee, Monisha, El-Emam, Ali A., Sinha, Leena
Formato: Artigo
Lenguaje:Inglês
Publicado: American Chemical Society 2020
Acceso en línea: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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