Molecular geometry, charge distribution and polarization in platinum nitrides. An ab initio and density functional theory study of PtNN, PtPtNN, NPtPtN, and NNPtNN. - Demetrios Xenides; George Maroulis (J. Comput. Methods Sci. Eng., 2006)

Electric polarizabilities of the CxSi4-x (0 ≤ x ≤ 4) clusters. A conventional and time-dependent density functional theory study. - Demetrios Xenides; Christos S. Garoufalis (J. Comput. Methods Sci. Eng., 2007)

Static electric polarizability and hyperpolarizability of sodium clusters: The case of the sodium tetramer. - Demetrios Xenides; George Maroulis (J. Comput. Methods Sci. Eng., 2007)

Trends of the bonding effect on the performance of DFT methods in electric properties calculations: A pattern recognition and metric space approach on some XY2 (X = O, S and Y = H, O, F, S, Cl) molecules. - Christos Christodouleas; Demetrios Xenides; Theodore E. Simos (J. Comput. Chem., 2010)