Comparative assessment of structure–property relationships of new Cu(II) complex in selected density functionals
Davut Avcı, H. Cömert, Fatih Sönmez, Necmi Dege, Ömer Tamer, Yusuf Atalay
2023Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy13 citationsDOIOpen Access PDF
Topics & Concepts
HyperpolarizabilityNatural bond orbitalIntermolecular forceDensity functional theoryBond lengthMaterials scienceChemistryAnalytical Chemistry (journal)CrystallographyComputational chemistryMolecular physicsPhysical chemistryMoleculeCrystal structureOrganic chemistryChromatographyPolarizabilityNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesCrystal structures of chemical compounds