| Review on the QM/MM methodologies and their application to metalloproteins CE Tzeliou, MA Mermigki, D Tzeli Molecules 27 (9), 2660, 2022 | 66 | 2022 |
| 3-input AND molecular logic gate with enhanced fluorescence output: The key atom for the accurate prediction of the spectra CE Tzeliou, D Tzeli Journal of Chemical Information and Modeling 62 (24), 6436-6448, 2022 | 12 | 2022 |
| Metallocene-naphthalimide derivatives: The effect of geometry, DFT methodology, and transition metals on absorption spectra CE Tzeliou, D Tzeli Molecules 28 (8), 3565, 2023 | 2 | 2023 |
| Molecular Logic Gates Based on Ferrocene-Containing Compounds CE Tzeliou, KP Zois, D Tzeli Inorganics 12 (4), 106, 2024 | 1 | 2024 |
| Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB C Demetriou, CE Tzeliou, A Androutsopoulos, D Tzeli Molecules 28 (24), 8016, 2023 | 1 | 2023 |
| Electronic Structure and Chemical Bonding of Transition-Metal Monoborides C Demetriou, CE Tzeliou, A Androutsopoulos | | 2023 |
| Application of Quantum Mechanics/Molecular Mechanics Methodologies to Metalloproteins MA Mermigki, C Tzeliou Encyclopedia Scholarly Community Encyclopedia, 2022 | | 2022 |
| The solvent and nitrogen geometry effect on the absorption spectra of a ferrocene-naphthalimide derivative CE Tzeliou, D Tzeli | | |
| Theoretical study of the photophysical processes of a three-input AND molecular logic gate with an enhanced fluorescent output C Tzeliou, D Tzeli | | |
