Structural Features of Triethylammonium Acetate through Molecular Dynamics

I have explored the structural features and the dynamics of triethylammonium acetate by means of semi-empirical (density functional tight binding, DFTB) molecular dynamics. I find that the results from the present simulations agree with recent experimental determinations with only few minor differen...

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Detalles Bibliográficos
Autor principal: Bodo, Enrico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7146455/
https://www.ncbi.nlm.nih.gov/pubmed/32245229
http://dx.doi.org/10.3390/molecules25061432

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7146455/
https://www.ncbi.nlm.nih.gov/pubmed/32245229
http://dx.doi.org/10.3390/molecules25061432

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