This section might contain parameters developed by the pDynamo users for modelling specific systems.
Possible examples are force fields for certain classes of molecules (e.g., ionic liquids, synthetic polymers, pharmaceuticals), re-parametrizations of a semiempirical Hamiltonian for a certain system/reaction, new basis sets for ab initio DFT calculations.

Specific semiempirical parameters to phosphate reactions

Specific semiempirical (PM3) parameters to halide substitutions