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Dataset on structure and physical properties of stable diatomic systems based on van der Waals density functional method

With the influence of progress in the materials informatics, development of fundamental database has been attracting growing interest. The bonding between atoms is essential component of all kinds of materials and govern their structure, stability, and properties. When we try to understand a materia...

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Detalles Bibliográficos
Autores principales: Shibata, Kiyou, Suzuki, Eiki, Mizoguchi, Teruyasu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8040128/
https://www.ncbi.nlm.nih.gov/pubmed/33869695
http://dx.doi.org/10.1016/j.dib.2021.106968