Data on the intermolecular interactions of 1,1,1,2-tetrafluoroethane liquids from molecular dynamics simulations

Detailed atomistic interactions of 1,1,1,2-tetrafluoroethane (HFA-134a) liquid were presented in a data format, namely, DL_ANALYSER Notation for Atomic Interactions (DANAI), that annotates precisely the nature of interactions that is discoverable and searchable without having to resolve to diagramma...

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Detalles Bibliográficos
Autores principales: Yong, Chin W., Barron, Vivian Walter, Slowey, Alex, Todorov, Ilian T., Roberts, Kevin J., Hammond, Robert B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10460937/
https://www.ncbi.nlm.nih.gov/pubmed/37645445
http://dx.doi.org/10.1016/j.dib.2023.109485

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