Structural, thermal, spectroscopic, electronic and biological activity properties of coumarin-153 dyes for DSSCs: A DFT benchmark study
Y. Erdoğdu, U. Ceren Baskose, Semran Sağlam, Makbule Erdoğdu, H. Ogutcu, Süleyman Özçelik
Topics & Concepts
ChemistryCoumarinMoleculeDensity functional theoryComputational chemistrySpectroscopyProton NMRInfraredPhotochemistryOrganic chemistryQuantum mechanicsOpticsPhysicsFree Radicals and AntioxidantsNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer Studies