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QTAIM analysis dataset for non-covalent interactions in furan clusters

Furan clusters are very important to understand the dynamics and properties of the furan solvent. They can be used combined with quantum cluster equilibrium theory to theoretically determine the thermodynamics properties of the furan solvent. To understand the structures of the furan clusters, one n...

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Detalles Bibliográficos
Autores principales: Malloum, Alhadji, Conradie, Jeanet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8718740/
https://www.ncbi.nlm.nih.gov/pubmed/35005152
http://dx.doi.org/10.1016/j.dib.2021.107766