Structure-property analysis of dithienopyrrole-based D-π-A-π-D compounds: Electronic and nonlinear optical responses with advanced python-based visualizations
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This study investigates the electronic structure and nonlinear optical (NLO) properties of DTP-based D-π-A-π-D compounds using DFT and TDDFT methods. The influence of electron-withdrawing acceptors on charge transfer and the NLO efficiency were analyzed at 1... ...
