Modeling the conformational preference, spectroscopic properties, UV light harvesting efficiency, biological receptor inhibitory ability and other physico-chemical properties of five imidazole derivatives using quantum mechanical and molecular mechanics tools
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DOI: 10.1016/j.molliq.2020.112871
Abstract: Abstract Five imidazole derivatives, 1-boc-imidazole (B1), 1-(trifluoroacetyl)imidazole (B2), 1-(2-hydroxyethyl)imidazole (B3), 1-(aminopropyl)imidazole (B4) and 1-ethylimidazole (B5) were analyzed for the structural, nonlinear optical, electronic and biological properties. The functional nature of the compounds were analyzed using… read more here.
Keywords: five imidazole; preference spectroscopic; conformational preference; modeling conformational ... See more keywords