Listar por tema "Porphyrins"

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Metalloporphyrin reduced C70 fullerenes as adsorbents and detectors of ethenone; A DFT, NBO, and TD-DFT study

Jouypazadeh, Hamidreza; Arshadi, S.; Cespedes Panduro, B.; Kumar, A.; Habibzadeh, S.; Ahmadi, S.; Vessally, E. (Elsevier Inc., 2023-05-03)
Acceso cerrado

In the present work, the structure and electronic properties of Ti-, Cr-, Fe-, Ni-, Zn-, and Cu-inserted in porphyrin-reduced C70 fullerenes (TM-PIC70Fs) and their interactions with the ethenone were studied using DFT, ...