O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation
Muhammad Khalid, Akbar Ali, Sadia Haq, Muhammad Nawaz Tahir, Javed Iqbal, Ataualpa Albert Carmo Braga, Muhammad Ashfaq, Samee Ul Hassan Akhtar
Topics & Concepts
Natural bond orbitalChemistryMolecular orbitalIntermolecular forceCrystallographyComputational chemistryHOMO/LUMOMolecular geometryMoleculeCrystal structureX-ray crystallographyAtomic orbitalDensity functional theoryDiffractionOrganic chemistryOpticsElectronQuantum mechanicsPhysicsSynthesis and biological activityNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic Compounds