Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectral analysis. Conformational analysis has been achie...

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Bibliographic Details
Main Authors: Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Goncagül Serdaroğlu, Ali Shokuhi Rad, M.S. Roxy
Format: Article
Language:English
Published: Elsevier 2020-10-01
Series:Heliyon
Subjects:
Organic chemistry
Pharmaceutical chemistry
Theoretical chemistry
DFT
Imidazole
MEP
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844020320259

Internet

http://www.sciencedirect.com/science/article/pii/S2405844020320259

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