Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole
Misbah Asif, Hasnain Sajid, Faizan Ullah, Sidra Khan, Khurshid Ayub, Mazhar Amjad Gilani, Muhammad Arshad, Mohammed Salim Akhter, Tariq Mahmood
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOAdsorptionMoleculeTetrapyrroleHalideAnalyteComputational chemistryChemical physicsPhysical chemistryDensity functional theoryInorganic chemistryOrganic chemistryEnzymeGas Sensing Nanomaterials and SensorsConducting polymers and applicationsAnalytical Chemistry and Sensors