Browsing Chemistry by Subject "density functional theory"

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Experimental and theoretical analysis of organic dyes having a double D-π-A configurations for dye-sensitized solar cells

Balanay, Mannix P.; Choi, Kyu Seok; Lee, Sang Hee; Kim, Dong Hee (Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2017-02-15)

Two spiro-like organic dyes linked at the thiophene bridge (KS-11 and KS-12) together with the original rod-shaped D-π-A configuration (C1) were designed, synthesized, and characterized based on their electronic structure, ...