First principles study of the n-channel thiophene based heterocyclic chalcones
Abstract
In present investigation, we limelight the key electro-optical properties including electronic structure, optical, charge transport and nonlinear optical properties of two novel chalcone derivatives (( E )-1-(2,5-Dimethyl-3-Thienyl)-3-(2-hydroxyphenyl)prop-2-en-1-one ( chalc1 ) and (2 E )-3-[4-(Dimethylamino)phenyl]-1-(2,5-dimethyl-3-Thienyl)prop-2-en-1-one ( chalc2 ). The ground (S 0 ) and excited state (S 1 ) geometries are optimized using...
Paper Details
Title
First principles study of the n-channel thiophene based heterocyclic chalcones
Published Date
Jun 1, 2017
Journal
Volume
138
Pages
349 - 358
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