A first principles study of key electronic, optical, second and third order nonlinear optical properties of 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one: a novel D-$$\pi $$π-A type chalcone derivative
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DOI: 10.1007/s10825-017-1050-3
Abstract: In this work we assess the significant electrooptic properties of a novel chalcone derivative 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one using a computational approach. The ground-state molecular geometry was optimized, and geometrical parameters and vibrational modes are established and… read more here.
Keywords: chalcone derivative; second third; pyridin prop; chlorophenyl pyridin ... See more keywords