Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensor

In the current study, a covalent triazine framework (CTF-0) was evaluated as an electrochemical sensor against industrial pollutants i.e., O(3), NO, SO(2), SO(3), and CO(2). The deep understanding of analytes@CTF-0 complexation was acquired by interaction energy, NCI, QTAIM, SAPT0, EDD, NBO and FMO...

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Detalles Bibliográficos
Autores principales: Sarfaraz, Sehrish, Yar, Muhammad, Ans, Muhammad, Gilani, Mazhar Amjad, Ludwig, Ralf, Hashmi, Muhammad Ali, Hussain, Masroor, Muhammad, Shabbir, Ayub, Khurshid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8981076/
https://www.ncbi.nlm.nih.gov/pubmed/35425404
http://dx.doi.org/10.1039/d1ra08738j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8981076/
https://www.ncbi.nlm.nih.gov/pubmed/35425404
http://dx.doi.org/10.1039/d1ra08738j

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