New Force-Field for Organosilicon Molecules in the Liquid Phase

[Image: see text] In this paper, we present a new molecular model that can accurately predict thermodynamic liquid state and phase-change properties for organosilicon molecules including several functional groups (alkylsilane, alkoxysilane, siloxane, and silanol). These molecules are of great import...

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Detalles Bibliográficos
Autores principales: Jorge, Miguel, Milne, Andrew W., Barrera, Maria Cecilia, Gomes, José R. B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8679648/
https://www.ncbi.nlm.nih.gov/pubmed/34939073
http://dx.doi.org/10.1021/acsphyschemau.1c00014

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8679648/
https://www.ncbi.nlm.nih.gov/pubmed/34939073
http://dx.doi.org/10.1021/acsphyschemau.1c00014

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