Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Autor:	B. Gassoumi, A. Mehri, H. Hammami, M.E. Castro, A. Karayel, S. Özkınalı, F.J. Melendez, L. Nouar, F. Madi, H. Ghalla, R. Ben Chaabane, H. Ben Ouada
Rok vydání:	2022
Předmět:	General Materials Science Condensed Matter Physics
Zdroj:	Materials Chemistry and Physics. 278:125555
ISSN:	0254-0584
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8a25a3f9c8a0ce74aa54019225291acc https://doi.org/10.1016/j.matchemphys.2021.125555 Zobrazit plný text záznamu Full Text from ScienceDirect