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Density Functional Method Study on the Cooperativity of Intermolecular H-bonding and π-π(+) Stacking Interactions in Thymine-[C(n)mim]Br (n = 2, 4, 6, 8, 10) Microhydrates

The exploration of the ionic liquids’ mechanism of action on nucleobase’s structure and properties is still limited. In this work, the binding model of the 1-alkyl-3-methylimidazolium bromide ([C(n)mim]Br, n = 2, 4, 6, 8, 10) ionic liquids to the thymine (T) was studied in a water environment (PCM)...

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Detalles Bibliográficos
Autores principales:	Wang, Yanni, Dai, Chaowu, Huang, Wei, Ni, Tingting, Cao, Jianping, Pang, Jiangmei, Wei, Huining, Wang, Chaojie
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572290/ https://www.ncbi.nlm.nih.gov/pubmed/36234781 http://dx.doi.org/10.3390/molecules27196242

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