The Universal Force Field (UFF) is a molecular mechanics force field designed for the full periodic table. The atom types are characterized by atomic number, hybridization and formal connectivity. Because of its universality it is far from accurate, but provides the appealing of simplicity under all type of systems. It is a practical option in QM/MM calculations where the MM part is not a critical issue.
References[]
- A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, W. M. Skiff , , (25), pp 10024–10035 10.1021/ja00051a040
- Leach, A. R. (2001) Molecular Modelling: Principles and Applications, 2nd Ed. Pearson Prentice Hall
- Cramer, C. J. (2004) Essentials of Computational Chemistry, 2nd Ed. John Wiley & Sons.