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Theoretical survey on the electronic, linear and nonlinear optical properties of substituted benzenes and polycondensed π-systems. A density functional theory study

Mahnaz Jabbarzadeh Sani

2023Computational and Theoretical Chemistry11 citationsDOI

Topics & Concepts

ChemistryHyperpolarizabilityDelocalized electronPolarizabilityDensity functional theoryComputational chemistryNatural bond orbitalCNDO/2Molecular physicsDipoleFluorobenzeneMolecular orbitalMoleculeChemical physicsBenzeneOrganic chemistryNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsOrganic Electronics and Photovoltaics
Theoretical survey on the electronic, linear and nonlinear optical properties of substituted benzenes and polycondensed π-systems. A density functional theory study | Litcius