Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one
S. Sangeetha Margreat, S. Ramalingam, Helmi Mohammed Al‐Maqtari, Joazaizulfazli Jamalis, S. Sebastian, S. Periandy, S. Xavier
Topics & Concepts
Natural bond orbitalChemistryFukui functionHyperpolarizabilityComputational chemistryMoleculeMulliken population analysisWave functionDensity functional theoryPhysical chemistryOrganic chemistryPhysicsAtomic physicsPolarizabilityElectrophileCatalysisNonlinear Optical Materials ResearchFree Radicals and AntioxidantsMetal complexes synthesis and properties