DFT Study of Conformational Analysis, Molecular Structure and Properties of para-, meta- and ortho 4-Methoxyphenyl Piperazine Isomers
Yavuz Ekíncíoğlu, Hamdi Şükür Kılıç, Ö. Dereli
Topics & Concepts
SpartanConformational isomerismPiperazineMulliken population analysisMolecular orbitalMoleculeDensity functional theoryComputational chemistryHOMO/LUMOPhysicsChemistryOrganic chemistryQuantum mechanicsField-programmable gate arrayComputer hardwareComputer scienceNonlinear Optical Materials ResearchFree Radicals and AntioxidantsChemical synthesis and pharmacological studies