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The Journal of Chemical Physics|October 19, 2005
Electronic and geometric structure of the 3d-transition metal monocarbonyls MCO, M=Sc, Ti, V, and CrConstantine Koukounas, Stavros Kardahakis, Aristides MavridisChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 27, 2025
N-Heterocyclic Carbenes: A Benchmark Study on their Singlet-Triplet Energy Gap as a Critical Molecular DescriptorKonstantinos P Zois, Andreas A Danopoulos, Demeter TzeliMolecules (Basel, Switzerland)|May 14, 2022
Review on the QM/MM Methodologies and Their Application to MetalloproteinsChristina Eleftheria Tzeliou, Markella Aliki Mermigki, Demeter TzeliThe Journal of Chemical Physics|June 28, 2011
First principles study of the ground and excited states of FeO, FeO+, and FeO(-)Constantine N Sakellaris, Evangelos Miliordos, Aristides MavridisThe Journal of Chemical Physics|May 6, 2006
Ab initio study of the electronic structure of manganese carbideApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|July 23, 2004
On symmetry breaking in BNB: real or artifactual?Apostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|December 3, 2008
The electronic structure of the two lowest states of CuCApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|January 26, 2010
The Sc(2) dimer revisitedApostolos Kalemos, Ilya G Kaplan, Aristides MavridisThe Journal of Physical Chemistry. A|August 10, 2010
Ab initio study of the electronic structure of zinc oxide and its ions, ZnO(0,+/-). Ground and excited statesConstantine N Sakellaris, Aristotle Papakondylis, Aristides MavridisThe Journal of Chemical Physics|July 23, 2005
The electronic structure of vanadium carbide, VCApostolos Kalemos, Thom H Dunning, Aristides MavridisPageof 12