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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Bibliografiske detaljer
Udgivet i:Materials (Basel)
Main Authors: Izquierdo-Ruiz, Fernando, Otero-de-la-Roza, Alberto, Contreras-García, Julia, Prieto-Ballesteros, Olga, Recio, Jose Manuel
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2016
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5457105/
https://ncbi.nlm.nih.gov/pubmed/28773898
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma9090777
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