Molecular structure, HOMO-LUMO, MEP - – Analysis of triazine compounds using DFT (B3LYP) calculations
Bakhtiyor Ganiev, Uktam Mardonov, Gulyayra Kholikova
Topics & Concepts
HOMO/LUMOChemistryReactivity (psychology)Electron affinity (data page)Ionization energyMulliken population analysisMolecular orbitalDensity functional theoryMoleculeElectrophileComputational chemistryBasis setCrystallographyIonizationIonOrganic chemistryCatalysisPathologyMedicineAlternative medicineSynthesis and Characterization of Heterocyclic CompoundsChemical Reaction MechanismsSynthesis and Biological Evaluation