Articles with "nlo activities" as a keyword



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In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT

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Published in 2023 at "Royal Society Open Science"

DOI: 10.1098/rsos.220430

Abstract: The nonlinear optical (NLO) properties of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate (EMAB) and some of its derivatives are investigated herein using the density functional theory (DFT) and time-dependent (TD)-DFT methods. The density functionals B3LYP, CAM-B3LYP, M06-2X and ωB97XD,… read more here.

Keywords: nlo activities; methoxyphenyl methyleneamino; dft; hydroxy methoxyphenyl ... See more keywords