Cargando…
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...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
|
| Materias: | |
| 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 |