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Current Issues in Molecular Biology|August 28, 2024
Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in FurinNikitas Georgiou, Thomas Mavromoustakos, Demeter TzeliJournal of Chemical Theory and Computation|September 21, 2021
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4], q = -2, -1, +2, +3Demeter Tzeli, Simone Raugei, Sotiris S XantheasPhysical Chemistry Chemical Physics : PCCP|November 10, 2010
Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)(x)NH+(4-x), x = 0-4Demeter Tzeli, Ioannis D Petsalakis, Giannoula TheodorakopoulosThe Journal of Chemical Physics|August 14, 2008
Theoretical study on the electronic states of NaLiIoannis D Petsalakis, Demeter Tzeli, Giannoula TheodorakopoulosThe Journal of Physical Chemistry. A|August 22, 2008
Theoretical study of gallium nitride molecules, GaN2 and GaN4Demeter Tzeli, Giannoula Theodorakopoulos, Ioannis D PetsalakisThe Journal of Chemical Physics|September 1, 2022
The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and CaJoani Mato, Demeter Tzeli, Sotiris S XantheasPhysical Chemistry Chemical Physics : PCCP|June 1, 2011
Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivativeDemeter Tzeli, Ioannis D Petsalakis, Giannoula TheodorakopoulosThe Journal of Physical Chemistry. A|August 23, 2007
Theoretical investigation on the electronic and geometric structure of GaN2+ and GaN4+Demeter Tzeli, Ioannis D Petsalakis, Giannoula TheodorakopoulosThe Journal of Physical Chemistry. A|September 9, 2011
Computational insight into the electronic structure and absorption spectra of lithium complexes of N-confused tetraphenylporphyrinDemeter Tzeli, Ioannis D Petsalakis, Giannoula TheodorakopoulosThe Journal of Chemical Physics|December 23, 2009
Theoretical investigation of the ground and low-lying excited states of gallium and indium silicides, GaSi and InSiDemeter Tzeli, Ioannis D Petsalakis, Giannoula TheodorakopoulosPageof 8