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
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The density functional theory (DFT) method is applied to investigate the ability of transition metals porphyrins induced in carbon nanocone (TM-PCNC, TM = Ti2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) for identifying and eliminating undesirable SM molecules fr... ...
