Evangelos Miliordos

Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)<i>n</i>, <i>n</i> = 2–6, and several hexamer local minima at the CCSD(T) level of theory

Evangelos Miliordos, Edoardo Aprà, Sotiris S. Xantheas · The Journal of Chemical Physics · 2013 · 120 citations

Benchmark Theoretical Study of the π–π Binding Energy in the Benzene Dimer

Evangelos Miliordos, Edoardo Aprà, Sotiris S. Xantheas · The Journal of Physical Chemistry A · 2014 · 87 citations

Engineering, Physics, Benchmark Theoretical Study +14

Electronic Structure and Bonding of the Early 3d-Transition Metal Diatomic Oxides and Their Ions: ScO^0,±, TiO^0,±, CrO^0,±, and MnO^0,±^†

Evangelos Miliordos, Aristides Mavridis · The Journal of Physical Chemistry A · 2010 · 86 citations

Their Ions, Engineering, Computational Chemistry +18

Unusual Inorganic Biradicals: A Theoretical Analysis

Evangelos Miliordos, Klaus Ruedenberg, Sotiris S. Xantheas · Angewandte Chemie International Edition · 2013 · 80 citations

Materials Science, Inorganic Chemistry, Ideal Biradical +13

On the Bonding Nature of Ozone (O₃) and Its Sulfur-Substituted Analogues SO₂, OS₂, and S₃: Correlation between Their Biradical Character and Molecular Properties

Evangelos Miliordos, Sotiris S. Xantheas · Journal of the American Chemical Society · 2014 · 76 citations

Engineering, Theoretical Inorganic Chemistry, Atmospheric Photochemistry +16