Syntheses, single crystal X-ray structure, Hirshfeld surface analyses, DFT computations and Monte Carlo simulations of New Eugenol derivatives bearing 1,2,3-triazole moiety
Abdelmaoujoud Taia, Brahim El Ibrahimi, F. Benhiba, Muhammad Ashfaq, Muhammad Nawaz Tahir, Mohamed Essaber, A. Aatif, Tuncer Hökelek, Joel T. Mague, Nada Kheira Sebbar, El Mokhtar Essassi
Topics & Concepts
ChemistryCycloadditionDensity functional theoryMoietyTriazoleClick chemistrySingle crystalAzideCrystal structureComputational chemistryCrystallography1,2,3-TriazoleStereochemistryOrganic chemistryCatalysisClick Chemistry and ApplicationsChemistry and Chemical EngineeringComputational Drug Discovery Methods