Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study
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DOI: 10.1016/j.molstruc.2017.01.016
Abstract: Abstract The wavenumbers, molecular structure, molecular electrostatic potential, nonlinear optical properties and natural bond orbital analysis of a thiourea derivative, 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6) were reported. For the title molecule, HOMO is all over the molecule except… read more here.
Keywords: thiourea; study; phenyl thiourea; dichlorophenyl trifluoromethyl ... See more keywords