References

  1. A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard III, and W. M. Skiff, UFF, a Full Periodic Table Force Field for Molecular Dynamics Simulations, Journal of the American Chemical Society 114, 10024-10035 (1992).

  1. A.K. Rappe, W.A. Goddard III, Charge Equilibration for Molecular Dynamics Simulations, The Journal of Physical Chemistry 95, 3358-3363 (1991).

  1. M. O’Keeffe and N.E. Brese, Atom sizes and bond lengths in Molecules and Crystals, Journal of the American Chemical Society 113, 3226-3229 (1991).

  1. S.L. Mayo, B.D. Olafson, W.A. Goddard III, DREIDING: A Generic Force Field for Molecular Simulations, The Journal of Physical Chemistry 94, 8897-8909 (1990).

  1. C.J. Casewit, K.S. Colwell, A.K. Rappe, Applications of a Universal Force Field to Main Group Compounds, Journal of the American Chemical Society 114, 10046-10053 (1992).

  1. C.J. Casewit, K.S. Colwell, A.K. Rappe, Application of a Universal Force Field to Organic Molecules, Journal of the American Chemical Society 114, 10035-10046 (1992).

For calculations with the UFF4MOF parameters:

  1. M.A. Addicoat, N. Vankova, I.F. Akter, and T. Heine, An extension of the Universal Force Field to Metal-Organic Frameworks, J. Chem. Theory Comput. 10, 880-891 (2013)

For calculations with the UFF4MOFII parameters:

  1. D.E. Coupry, M.A. Addicoat, and T. Heine, An Extension of the Universal Force Field for Metal-Organic Frameworks, J. Chem. Theory Comput. 12, 5215-5225 (2016)

For calculations with the APPLE&P forcefield:

  1. O. Borodin, Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids, J. Phys. Chem. B 113, 11463–11478 (2009)