Ab initio determination of the electric multipole moments and static (hyper)polarizability of HCCX, X = F, Cl, Br, and I. - George Maroulis (J. Comput. Chem., 2003)

Computational aspects of electric polarizability calculations: Atoms, molecules and clusters. - George Maroulis (J. Comput. Methods Sci. Eng., 2004)

The bonding structure and dipole polarizability of two near-isoenergetic isomers of Si3. - Didier Bégué; Claude Pouchan; George Maroulis; Daisy Y. Zhang (J. Comput. Methods Sci. Eng., 2006)

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)

The challenge of alkali metal clusters from the atomic to the nanoscale. Structure, properties and reactivity. - George Maroulis; Patrizia Calaminici (J. Comput. Methods Sci. Eng., 2007)

Silicon clusters: Problems, challenges and perspectives. - George Maroulis; Aristides D. Zdetsis (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)

Moment analysis in collision-induced absorption: Determination of a single parameter empirical model for the induced dipole moment of He-Ar gas mixtures. - M. S. A. El-Kader; George Maroulis (J. Comput. Methods Sci. Eng., 2021)

Spectral lineshapes of collision-induced absorption (CIA) using isotropic intermolecular potential for N2-CH4. - M. S. A. El-Kader; George Maroulis; T. Bancewicz (J. Comput. Methods Sci. Eng., 2021)

Collision-induced absorption spectra (CIA) for monatomic gas mixtures of Helium-Xenon. - Muhammad Syed Abdul El-Kader; George Maroulis; M. A. El-Naggar (J. Comput. Methods Sci. Eng., 2023)