List of works - Demeter Tzeli

Ab initio investigation of the electronic and geometric structure of magnesium diboride, MgB2

scientific article published on 01 December 2005

Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces

scientific article published on 12 March 2020

Computational insight into the electronic structure and absorption spectra of lithium complexes of N-confused tetraphenylporphyrin.

scientific article

Conformations and fluorescence of encapsulated stilbene

scientific article published on 22 February 2012

Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative

scientific article published on 31 May 2011

Electronic structure and bonding of the 3d transition metal borides, MB, M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations

scientific article published on 01 January 2008

Electronic structure of cobalt carbide, CoC

scientific article published on 01 July 2006

First principles investigation of the electronic structure of the iron carbide cation, FeC+

scientific article published on 01 October 2005

First principles study of the electronic structure and bonding of Mn2

scientific article published on 01 October 2008

Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: a theoretical study

scientific article published on 01 November 2016

On the ground state of titanium phosphide, TiP: a theoretical investigation

scientific article published on 01 August 2004

Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4]q, q = −2, −1, +2, +3

scientific article published on 21 September 2021

The activation of carbon dioxide by first row transition metals (Sc-Zn)

scientific article published on 01 October 2018

The dipole moments of the excited states of FeC

scientific article published on 01 February 2005

The electron affinity of gallium nitride (GaN) and digallium nitride (GaNGa): the importance of the basis set superposition error in strongly bound systems

scientific article published on 01 April 2008

Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)(x)NH+(4-x), x = 0-4.

scientific article published on 9 November 2010

Theoretical investigation of the ground and low-lying excited states of gallium and indium silicides, GaSi and InSi

scientific article published on 01 December 2009

Theoretical investigation of the ground and low-lying excited states of nickel carbide, NiC

scientific article published on 01 May 2007

Theoretical investigation on the electronic and geometric structure of GaN2+ and GaN4+

scientific article published on 21 August 2007

Theoretical study of gallium nitride molecules, GaN2 and GaN4

scientific article published on 20 August 2008

Theoretical study of hydrogen bonding in homodimers and heterodimers of amide, boronic acid, and carboxylic acid, free and in encapsulation complexes

scientific article published on 03 October 2011

Theoretical study on the electronic states of NaLi.

scientific article published in August 2008

List of works by Demeter Tzeli