ArticleSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy2021

Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT-IR, FT-Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide - dimer.

S J Jenepha Mary et al.PubMed ↗Full text ↗Publisher ↗

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