Structural and optical properties of salicyl-N-methyl-4-stilbazolium tosylate: Thermal, DFT, MEP and Hirshfeld surface analysis
S. Shanmuga Sundari, M. Mehala, N. Arunadevi, P. Kanchana, Salman S. Alharthi, Е. Ranjith Kumar, Y. Al‐Douri, A.F. Abd El-Rehim
Topics & Concepts
ChemistryDensity functional theoryBand gapMolecular orbitalHOMO/LUMOCrystal (programming language)Lattice energyIntermolecular forcePhysical chemistryComputational chemistryCrystal structureCrystallographyMoleculeOrganic chemistryCondensed matter physicsProgramming languagePhysicsComputer scienceNonlinear Optical Materials ResearchCrystal structures of chemical compoundsSynthesis and biological activity