Dimitrios Maganas

First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets

Mihail Atanasov, Daniel Aravena, Elizaveta A. Suturina et al. · Coordination Chemistry Reviews · 2014 · 347 citations

Molecular Magnetism, Magnetism, Engineering +11

A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

Michael Roemelt, Dimitrios Maganas, Serena DeBeer et al. · The Journal of Chemical Physics · 2013 · 272 citations

First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches

Dimitrios Maganas, Michael Roemelt, Michael Hävecker et al. · Physical Chemistry Chemical Physics · 2013 · 153 citations · Full text

X-ray Spectroscopy, Engineering, Computational Chemistry +21

Theoretical Analysis of the Spin Hamiltonian Parameters in Co^(II)S₄ Complexes, Using Density Functional Theory and Correlated ab initio Methods

Dimitrios Maganas, Silvia Sottini, Panayotis Kyritsis et al. · Inorganic Chemistry · 2011 · 123 citations

Chemistry and Quantum Mechanics in 2019: Give Us Insight <i>and</i> Numbers

Frank Neese, Mihail Atanasov, Giovanni Bistoni et al. · Journal of the American Chemical Society · 2019 · 123 citations · Full text

Engineering, Computational Chemistry, Chemistry +17