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A Quantum Chemical Study of Outstanding Structural, Electronic and Nonlinear Optical Polarizability of Boron Nitride (B12N12) Doped with Super Salt (P7BaNO3)

Ali Raza Ayub, Umer Yaqoob, Sidra Rafiq, Rao Aqil Shehzad, Khurshid Ayub, Javed Iqbal, Hui Li, Khaled H. Mahmoud, Khaled A. Elsayed

2022Journal of Inorganic and Organometallic Polymers and Materials26 citationsDOI

Topics & Concepts

HyperpolarizabilityPolarizabilityDensity functional theoryBasis setBoron nitrideMaterials scienceDopingBoronComputational chemistryChemistryMoleculeNanotechnologyOrganic chemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials ResearchEnergetic Materials and Combustion
A Quantum Chemical Study of Outstanding Structural, Electronic and Nonlinear Optical Polarizability of Boron Nitride (B12N12) Doped with Super Salt (P7BaNO3) | Litcius