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High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study

Hasnain Sajid, Sidra Khan, Khurshid Ayub, Tariq Mahmood

2020Microporous and Mesoporous Materials63 citationsDOI

Topics & Concepts

PhosgeneChemistryTetrapyrroleFormaldehydePhotochemistryNatural bond orbitalDelocalized electronSelectivityDensity functional theoryAbsorbancePolymerHOMO/LUMOOligomerComputational chemistryOrganic chemistryMoleculeCatalysisEnzymeChromatographyConducting polymers and applicationsElectrochemical Analysis and ApplicationsOrganic Electronics and Photovoltaics
High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study | Litcius