Independent group for theoretical chemistry (Ante Miličević, Nenad Raos) works on the Governmantal Project No. 022-1770495-2901 «Development of the models for the estimation of the values of stability constants». The first aim of the project is to develop and apply methods for the prediction of the stability (formation) constants of coordination compounds by means of graph-theoretical models. The research is focussed on chelates of heavy metals (Cu(II), Ni(II)) with bioligands (α-amino acids, their derivatives and peptides) and amines (diamines and triamines).

For this purpose other methods have also been used (e.g. overlapping spheres methods, OS). The group is also engaged in other problems of theoretical chemistry, e. g. crystal engineering and modelling of aromatic compounds.

(Reference: N. Raos and A. Miličević, Estimation of stability constants of coordination compoudns using models based on topological indices, Arh. hig. rada toksikol.  60(2009) 123-128.)