Synthesis, crystal structure, hirshfeld surface analysis, DFT computations and molecular dynamics study of 2-(benzyloxy)-3-phenylquinoxaline
Nadeem Abad, Hassane Lgaz, Zeliha Atioğlu, Mehmet Akkurt, Joel T. Mague, Ismat H. Ali, Ill-Min Chung, R. Salghi, El Mokhtar Essassi, Youssef Ramli
Topics & Concepts
Natural bond orbitalChemistryDensity functional theoryCrystallographyQuinoxalineStackingMoleculeCrystal structureHOMO/LUMOBasis setComputational chemistryLone pairAtoms in moleculesCrystal (programming language)Organic chemistryProgramming languageComputer scienceSynthesis and Biological EvaluationMulticomponent Synthesis of HeterocyclesSynthesis and biological activity