Mathavan T, Kumari GV, Jothirajan MA, Tzeli D, Baniel AMF, Umapathy S. Structural, Vibrational, Thermodynamic and Frontier Molecular Orbital Studies on (GaN)2 : A DFT and MP2 Approach. Intern. J. Scient. Eng. Research 2014;5:29-32.

Mathavan T, Varghese A, Vanitha Kumari G, Jothirajan MA, Beniel AMF, Tzeli D, Umapathy S. A study on thermochemical properties of ZnS Nanomaterial: A computational Approach. Intern. J. Scient. Eng. Research 2014;5:33-36.

Kozielewicz P, Tzeli D, Tsoungas PG, Zloh M. Arene-fused 1,2-oxazole N-oxides and derivatives. The impact of the N-O dipole and substitution on their aromatic character and reactivity profile. Can it be a useful structure in synthesis? A theoretical insight. STRUCTURAL CHEMISTRY 2014;25:1837-1846.

Tzeli D, Petsalakis ID, Theodorakopoulos G, Ajami D, Rebek, Jr. J. The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids. THEORETICAL CHEMISTRY ACCOUNTS 2014;133

Tzeli D, Morphis A, Blackman JA, Trohidou KN. Magnetism in the interface of Co/CoO. In: Niarchos D, Hadjipanayis G, Kalogirou OJEMS 2013 - JOINT EUROPEAN MAGNETIC SYMPOSIA. 2014

Kozielewicz P, Tsoungas PG, Tzeli D, Petsalakis ID, Zloh M. beta-Nitroso-o-quinone methides: potent intermediates in organic chemistry and biology. The impact of the NO group on their structure and reactivity profile: a theoretical insight. STRUCTURAL CHEMISTRY 2014;25:1711-1723.