Experimental, DFT, molecular docking and in silico ADMET studies of cadmium-benzenetricarboxylates

Experimental, DFT, molecular docking and in silico ADMET studies of cadmium-benzenetricarboxylates

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The structure of the polymer [Cd(BTC)(H2O)2]n was identified by X-ray single-crystal crystallography. The complex’s stability and overall reactivity were examined at the B3LYP/6-311++G (d,p) level of theory whereas the lighter elements (H, C, and O) were studied using the LanL2DZ basis set. The elec...

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Bibliographic Details
Main Authors: Enyi Inah Bassey, Terkumbur Emmanuel Gber, Edison Esther Ekpenyong, Henry Okon Edet, Innocent Benjamin, Imabasi Tom Ita
Format: Article
Language:English
Published: Universidade Estadual Paulista 2022-10-01
Series:Eclética Química
Subjects:
synthesis
characterizations
antimicrobial studies
metal-organic frameworks
Online Access:https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/1352

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https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/1352

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