Supramolecular Ring Structures of 7-Methylguanine: A Computational Study of Its Self-assembly and Anion Binding

The density functional theory calculations of 7-methylguanine clusters revealed that stable ring assemblies can be formed with or without anions in the center position and hexameric clusters are the most stable and most planar ones. The coordination of anions (Cl(−), Br(−), NO(3)(−)) stabilizes and...

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Detalles Bibliográficos
Autores principales: Paragi, Gábor, Kupihár, Zoltán, Guerra, Célia Fonseca, Bickelhaupt, F. Matthias, Kovács, Lajos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269867/
https://www.ncbi.nlm.nih.gov/pubmed/23271462
http://dx.doi.org/10.3390/molecules18010225

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269867/
https://www.ncbi.nlm.nih.gov/pubmed/23271462
http://dx.doi.org/10.3390/molecules18010225

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