Timothy Esan

[ 1 ] - Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method

This work investigates the structural and nonlinear optical properties of a D-A type 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone, MMP in which charge transfer occurs from -SCH3 donor to -COCH3 acceptor group through methylidene backbone; and some of its modeled analogues using quantum chemical calculations with pure BLYP and hybrid B3LYP correlation with high basis se...