Effects of the CO(2) Guest Molecule on the sI Clathrate Hydrate Structure

This paper analyzes the structural, energetic and mechanical properties of carbon dioxide hydrate clathrates calculated using finite cluster and periodic ab initio density-functional theory methodologies. Intermolecular interactions are described by the exchange-hole dipole moment method. The stabil...

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Detalles Bibliográficos
Autores principales: Izquierdo-Ruiz, Fernando, Otero-de-la-Roza, Alberto, Contreras-García, Julia, Prieto-Ballesteros, Olga, Recio, Jose Manuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5457105/
https://www.ncbi.nlm.nih.gov/pubmed/28773898
http://dx.doi.org/10.3390/ma9090777

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5457105/
https://www.ncbi.nlm.nih.gov/pubmed/28773898
http://dx.doi.org/10.3390/ma9090777

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