Cargando…
Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room Temperature
[Image: see text] Calculation of the surface free energy (SFE) is an important application of the thermodynamic integration (TI) methodology, which was mainly employed for atomic crystals (such as Lennard–Jones or metals). In this work, we present the calculation of the SFE of a molecular crystal us...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9007450/ https://www.ncbi.nlm.nih.gov/pubmed/35324191 http://dx.doi.org/10.1021/acs.jpca.2c00604 |