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Physical Chemistry Chemical Physics : PCCP|October 27, 2025
Electronic structure and chemical bonding of the MoBe moleculeConstantinos Demetriou, Demeter TzeliThe Journal of Physical Chemistry. A|July 22, 2020
Quadruple Bonding in the Ground and Low-Lying Excited States of the Diatomic Molecules TcN, RuC, RhB, and PdBeDemeter Tzeli, Ioannis KarapetsasMolecules (Basel, Switzerland)|July 12, 2025
Electronic Structure of the Ground and Low-Lying States of MoLiConstantinos Demetriou, Demeter TzeliACS Omega|September 15, 2025
Electronic Structure and Chemical Bonding of MoX Molecules, where X = Li, Be, B, C, N, O, and FAlexandros Androutsopoulos, Demeter TzeliThe Journal of Chemical Physics|April 17, 2008
The electron affinity of gallium nitride (GaN) and digallium nitride (GaNGa): the importance of the basis set superposition error in strongly bound systemsDemeter Tzeli, Athanassios A TsekourasJournal of Chemical Information and Modeling|April 19, 2022
3-Input AND Molecular Logic Gate with Enhanced Fluorescence Output: The Key Atom for the Accurate Prediction of the SpectraChristina Eleftheria Tzeliou, Demeter TzeliPhysical Chemistry Chemical Physics : PCCP|May 14, 2026
Photophysical tuning via piperazine nitrogen torsion in a ferrocene-aminonaphthalimide derivativeChristina Eleftheria Tzeliou, Demeter TzeliMolecules (Basel, Switzerland)|April 28, 2023
Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption SpectraChristina Eleftheria Tzeliou, Demeter TzeliThe Journal of Chemical Physics|July 1, 2022
Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; n = 1-4)Demeter Tzeli, Sotiris S XantheasACS Omega|January 26, 2026
Similarities and Differences on the Electronic Structure and Chemical Bonding of Isoelectronic Molecules: X2NH and HNX2NH, where X = N and CGeorgios A Tsekouras, Demeter TzeliPageof 12