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Understanding the link between the detection limit and the energy stability of two quercetin–antimony complexes by means of conceptual DFT

Autor: Benhadria, Naceur, Attar, Tarik, Messaoudi, Boulanouar

Publikováno v: South African Journal of Chemistry; Vol. 73 No. 1 (2020); 120–124
South African Journal of Chemistry, Volume: 73, Pages: 120-124, Published: 2020

In view of the importance of quercetin and its derivatives in trace metal analyses, two organometallic complexes formed between quercetin (Q) and quercetin-5-sulfonic acid (QSA) with antimony metal, were theoretically studied via density functional t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::9db3beee8662c41c443f385f9fd3008f
https://www.ajol.info/index.php/sajc/article/view/241097

Quantum investigation of the reaction between triplet oxygen O(3P) atom and butadiene

Autor: MESSAOUDI, Boulanouar, CHERIET, Mouna, DJEMIL, Rayenne, KHATMİ, Djameleddine

Publikováno v: Volume: 7, Issue: 2 1-11
Turkish Computational and Theoretical Chemistry

We have explored the potential energy surface of the triplet oxygen atom O(3P) reaction with 1,3-butadiene at CBS-QB3 levels of theory. Possible different pathways have been determined to better understand the reaction mechanism. Thus, the first path

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=tubitakulakb::ac0d62c65c21827c076478111094aee8
https://dergipark.org.tr/tr/pub/tcandtc/issue/73446/1144794

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