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
Topics & Concepts
HyperpolarizabilityPolarizabilityDensity functional theoryBasis setBoron nitrideMaterials scienceDopingBoronComputational chemistryChemistryMoleculeNanotechnologyOrganic chemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials ResearchEnergetic Materials and Combustion