Exohedrally and endohedrally doped calix-4-pyrrole surface by alkali and alkaline earth metals for potential applications as high-performance NLO materials
Qudsia Sehar Hameed, Khadijah Mohammedsaleh Katubi, Rao Aqil Shehzad, Khurshid Ayub, Norah Salem Alsaiari, Javed Iqbal, M.S. Al-Buriahi
Topics & Concepts
HyperpolarizabilityChemistryAlkali metalPolarizabilityDopingAlkaline earth metalBand gapNatural bond orbitalDensity functional theoryDipoleIonization energyPhysical chemistryAnalytical Chemistry (journal)IonComputational chemistryIonizationCondensed matter physicsMoleculeChromatographyOrganic chemistryPhysicsNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesCrystal Structures and Properties