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Quantum chemical modeling, synthesis, spectroscopic (FT-IR, excited States, UV–Vis) studies, FMO, QTAIM, NBO and NLO analyses of two new azo derivatives

Erfu Huo, Siyamak Shаhаb, Sultan Al Saud, Weiqin Cheng, Peng Lü, Masoome Sheikhi, Radwan Alnajjar, Sadegh Kaviani

2021Journal of Molecular Structure18 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalExcited stateDensity functional theoryMoleculeComputational chemistryMolecular orbitalTime-dependent density functional theoryPhotochemistryUltravioletInfraredPhysical chemistryAtomic physicsOrganic chemistryOptoelectronicsPhysicsOpticsNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesFree Radicals and Antioxidants
Quantum chemical modeling, synthesis, spectroscopic (FT-IR, excited States, UV–Vis) studies, FMO, QTAIM, NBO and NLO analyses of two new azo derivatives | Litcius