Theoretical and computational study on electronic effect caused by electron withdrawing/electron-donating groups upon the coumarin thiourea derivatives
Amtul Musawwir, Afifa Farhat, Rasheed Ahmad Khera, Ali Raza Ayub, Javed Iqbal
Topics & Concepts
ThioureaChemistryDensity functional theoryMoleculeExcited stateHOMO/LUMOComputational chemistryMoietyBand gapAbsorbanceBasis setTime-dependent density functional theoryDipoleCoumarinReactivity (psychology)PhotochemistryPhysical chemistryOrganic chemistryAtomic physicsChromatographyPhysicsQuantum mechanicsMedicinePathologyAlternative medicinePhotochemistry and Electron Transfer StudiesNonlinear Optical Materials ResearchPhotochromic and Fluorescence Chemistry