Tzeli D, Petsalakis ID, Theodorakopoulos G. Computational Insight into the Electronic Structure and Absorption Spectra of Lithium Complexes of N-Confused Tetraphenylporphyrin. JOURNAL OF PHYSICAL CHEMISTRY A 2011;115:11749-11760.

Tzeli D, Theodorakopoulos G, Petsalakis ID, Ajami D, Rebek, Jr. J. Theoretical Study of Hydrogen Bonding in Homodimers and Heterodimers of Amide, Boronic Acid, and Carboxylic Acid, Free and in Encapsulation Complexes. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2011;133:16977-16985.

Petsalakis ID, Tzeli D, Kerkines ISK, Theodorakopoulos G. Theoretical study on the electronic structure and the absorption spectra of complexes of C-60 and C59N with pi-extended derivatives of tetrathiafulvalene. COMPUTATIONAL AND THEORETICAL CHEMISTRY 2011;965:168-175.

Tzeli D, Petsalakis ID, Theodorakopoulos G. {Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)(x)NH4-x+. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011;13:954-965.

Tzeli D, Petsalakis ID, Theodorakopoulos G. Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a pi-extended TTF derivative. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011;13:11965-11975.