Computational Procedure for Analysis of Crystallites in Polycrystalline Solids of Quasilinear Molecules

In the current work, a comprehensive procedure for structural analysis of quasilinear organic molecules arranged in a polycrystalline sample generated by molecular dynamics is developed. A linear alkane, hexadecane, is used as a test case because of its interesting behavior upon cooling. Instead of...

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Detalles Bibliográficos
Autores principales: Iliev, Stoyan, Tsibranska, Sonya, Kichev, Ilia, Tcholakova, Slavka, Denkov, Nikolai, Ivanova, Anela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005344/
https://www.ncbi.nlm.nih.gov/pubmed/36903570
http://dx.doi.org/10.3390/molecules28052327

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005344/
https://www.ncbi.nlm.nih.gov/pubmed/36903570
http://dx.doi.org/10.3390/molecules28052327

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