Cargando…

A data-driven interpretation of the stability of organic molecular crystals

Due to the subtle balance of intermolecular interactions that govern structure–property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fruitful approach involves classifying the dif...

Descripción completa

Detalles Bibliográficos
Autores principales: Cersonsky, Rose K., Pakhnova, Maria, Engel, Edgar A., Ceriotti, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9891366/
https://www.ncbi.nlm.nih.gov/pubmed/36756329
http://dx.doi.org/10.1039/d2sc06198h