From Infrared Spectra to Macroscopic Mechanical Properties of sH Gas Hydrates through Atomistic Calculations

The vibrational characteristics of gas hydrates are key identifying molecular features of their structure and chemical composition. Density functional theory (DFT)-based IR spectra are one of the efficient tools that can be used to distinguish the vibrational signatures of gas hydrates. In this work...

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Detalles Bibliográficos
Autores principales: Daghash, Shaden M., Servio, Phillip, Rey, Alejandro D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7729739/
https://www.ncbi.nlm.nih.gov/pubmed/33260942
http://dx.doi.org/10.3390/molecules25235568

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7729739/
https://www.ncbi.nlm.nih.gov/pubmed/33260942
http://dx.doi.org/10.3390/molecules25235568

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