Synthesis, experimental, theoretical study and molecular docking of 1-ethylpiperazine-1,4-diium bis(nitrate)
Sofian Gatfaoui, Abir Sagaama, Noureddine Issaoui, Thierry Roisnel, Houda Marouani
Topics & Concepts
Natural bond orbitalHydrogen bondOrthorhombic crystal systemAtoms in moleculesIntermolecular forceHOMO/LUMOCrystallographyMoleculeChemistryComputational chemistryDocking (animal)Crystal structureDensity functional theoryOrganic chemistryMedicineNursingCrystallography and molecular interactionsCrystal structures of chemical compoundsNonlinear Optical Materials Research