Structural investigations and theoretical insights of a polymethoxy chalcone derivative: Synthesis, crystal structure, 3D energy frameworks and SARS CoV-2 docking studies
Karthik Kumara, Mahima Jyothi, Salma Kouser, A.H. Uday Kumar, Ismail Warad, Shaukath Ara Khanum, N.K. Lokanath
Topics & Concepts
ChemistryCrystallographyLattice energyMonoclinic crystal systemNatural bond orbitalIntermolecular forceHydrogen bondCrystal structureMoleculeComputational chemistryStackingBasis setBand gapCrystal (programming language)Density functional theoryOrganic chemistryMaterials scienceOptoelectronicsProgramming languageComputer scienceNonlinear Optical Materials ResearchSynthesis and biological activityCrystal structures of chemical compounds