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Adsorption of sulfur mustard on the transition metals (TM = Ti2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) porphyrins induced in carbon nanocone (TM-PCNC): Insight from DFT calculation

Ahmad Saeed Hessen, Nahed Mahmood Ahmed Alsultany, Hala Bahir, A. Husein Adthab, Somayeh Soleimani‐Amiri, Sheida Ahmadi, Esmail Vessally, Azadeh Khanmohammadi

2024Journal of Molecular Graphics and Modelling11 citationsDOI

Topics & Concepts

Density functional theoryTransition metalSulfurAdsorptionCarbon fibersChemistryInorganic chemistryMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryCatalysisComposite materialComposite numberPorphyrin and Phthalocyanine ChemistryConducting polymers and applicationsGraphene research and applications
Adsorption of sulfur mustard on the transition metals (TM = Ti2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) porphyrins induced in carbon nanocone (TM-PCNC): Insight from DFT calculation | Litcius