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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...
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| Publicado en: | Front Chem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Frontiers Media S.A.
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7793851/ https://ncbi.nlm.nih.gov/pubmed/33425844 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2020.00757 |
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