Required Citations¶

When you publish results in the scientific literature that were obtained with programs of the ADF package, you are required to include references to the program package with the appropriate release number, and a few key publications.

For calculations with the UFF4MOF parameters:

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:

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)