Exploring the Non-Covalent Bonding in Water Clusters

QTAIM and source function analysis were used to explore the non-covalent bonding in twelve different water clusters (H(2)O)(n) obtained by considering n = 2–7 and various geometrical arrangements. A total of seventy-seven O−H⋯O hydrogen bonds (HBs) were identified in the systems under consideration,...

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Detalles Bibliográficos
Autores principales: Seijas, Luis E., Zambrano, Cesar H., Almeida, Rafael, Alí-Torres, Jorge, Rincón, Luis, Torres, Fernando Javier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10049637/
https://www.ncbi.nlm.nih.gov/pubmed/36982342
http://dx.doi.org/10.3390/ijms24065271

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10049637/
https://www.ncbi.nlm.nih.gov/pubmed/36982342
http://dx.doi.org/10.3390/ijms24065271

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