Fitting a square peg in a round hole: parameterisation of quasi-spherical molecules employing the Mie potential
Apart for the case of noble gases, no single set of molecular force field parameters can simultaneously describe the fluid phase equilibria, transport, and solid transition properties of quasi-spherical molecules.
Authors
- Erich A. Müller (ORCID: https://orcid.org/0000-0002-1513-6686)
- Gustavo Chaparro (ORCID: https://orcid.org/0000-0002-4800-7127)
Institutions
- Imperial College London (GB)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5me00048c
- Citations
- 1
- Primary Topic
- Quantum, superfluid, helium dynamics
- Type
- article
- Field-Weighted Citation Impact
- 1.25
Funders
- Imperial College London