Computational insights on dynamic disorder in molecular crystals – from electron structure over phonons to thermodynamics
This highlight article presents a mosaic assembling the achievements of computational modeling of the impact of dynamic disorder in molecular crystals on the performance of organic barocaloric, pharmaceutical or semiconductor materials.
Authors
- Ctirad Červinka (ORCID: https://orcid.org/0000-0003-1498-6715)
Institutions
- University of Chemistry and Technology, Prague (CZ)
Publication Details
- Journal
- CrystEngComm
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ce00209e
- Citations
- 4
- Primary Topic
- Organic and Molecular Conductors Research
- Type
- article
- Field-Weighted Citation Impact
- 1.71