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Journal of Computational Chemistry|April 14, 2021
Quadruple chemical bonding in the diatomic anions TcN- , RuC- , RhB- , and PdBeDemeter TzeliPhysical 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 TzeliThe Journal of Chemical Physics|January 22, 2008
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 calculationsDemeter Tzeli, Aristides MavridisThe Journal of Physical Chemistry. A|July 13, 2006
First principles investigation of the electronic structure of the iron carbide cation, FeC+Demeter Tzeli, Aristides MavridisThe Journal of Chemical Physics|July 30, 2004
On the ground state of titanium phosphide, TiP: a theoretical investigationDemeter Tzeli, Aristides MavridisThe Journal of Chemical Physics|May 27, 2010
Accurate ab initio calculations of the ground states of FeC, FeC(+), and FeC(-)Demeter Tzeli, Aristides MavridisACS 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 Physical Chemistry. A|July 26, 2006
Ab initio investigation of the electronic and geometric structure of magnesium diboride, MgB2Demeter Tzeli, Aristides MavridisPageof 8