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First-Principles Atomistic Thermodynamics and Configurational Entropy
In most applications, functional materials operate at finite temperatures and are in contact with a reservoir of atoms or molecules (gas, liquid, or solid). In order to understand the properties of materials at realistic conditions, statistical effects associated with configurational sampling and pa...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7793851/ https://www.ncbi.nlm.nih.gov/pubmed/33425844 http://dx.doi.org/10.3389/fchem.2020.00757 |