Quantum chemical framework for designing high-performance ladder-shape NLO molecules and study of implicit vs explicit solvent effects on their NLO properties
Shamsa Bibi, Iqra Kaifi, Shabbir Muhammad, Shafiq urRehman, Abdullah G. Al‐Sehemi, Saleh S. Alarfaji, Aijaz Rasool Chaudhry
Topics & Concepts
Quantum chemicalSolventMoleculeQuantumComputational chemistryMaterials scienceChemical physicsChemistryPhysicsQuantum mechanicsOrganic chemistryNonlinear Optical Materials ResearchOrganic and Molecular Conductors ResearchSynthesis and Characterization of Heterocyclic Compounds