Experimental and computational investigations of new indole derivatives: A combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis
Sobia Tariq, Muhammad Khalid, Abdul Rauf Raza, Syeda Laila Rubab, Sara Figueirêdo de Alcântara Morais, Muhammad Usman Khan, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga
Topics & Concepts
Natural bond orbitalChemistryDensity functional theoryIntramolecular forceIndole testMoleculeAtoms in moleculesCrystallographyCarbon-13 NMRMolecular geometryComputational chemistryMolecular orbitalCovalent bondProton NMRBond orderCrystal structureBond lengthStereochemistryOrganic chemistryStructural and Chemical Analysis of Organic and Inorganic CompoundsPolymer Synthesis and CharacterizationNonlinear Optical Materials Research