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Angewandte Chemie (International Ed. in English)|December 5, 2015
The Origin of the Reactivity of the Criegee Intermediate: Implications for Atmospheric Particle GrowthEvangelos Miliordos, Sotiris S XantheasJournal of Chemical Theory and Computation|November 18, 2015
Ground and Excited States of the [Fe(H₂O)₆]²⁺ and [Fe(H₂O)₆]³⁺ Clusters: Insight into the Electronic Structure of the [Fe(H₂O)₆]²⁺-[Fe(H₂O)₆]³⁺ ComplexEvangelos Miliordos, Sotiris S XantheasThe Journal of Chemical Physics|March 10, 2015
On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimerEvangelos Miliordos, Sotiris S XantheasThe Journal of Physical Chemistry. A|February 15, 2013
Efficient procedure for the numerical calculation of harmonic vibrational frequencies based on internal coordinatesEvangelos Miliordos, Sotiris S XantheasThe Journal of Physical Chemistry Letters|January 24, 2023
A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice PhasesKristina M Herman, Sotiris S XantheasThe Journal of Physical Chemistry. A|September 1, 2006
Structure, vibrational spectrum, and ring puckering barrier of cyclobutaneThomas A Blake, Sotiris S XantheasThe Journal of Physical Chemistry Letters|August 22, 2015
Photodetachment of Isolated Bicarbonate Anion: Electron Binding Energy of HCO3(.)Xue-Bin Wang, Sotiris S XantheasJournal of the American Chemical Society|August 11, 2025
Origins of Tetrahedral Order in IceKristina M Herman, Sotiris S XantheasThe Journal of Physical Chemistry. A|November 11, 2024
The Many-Body Expansion for Aqueous Systems Revisited: IV. Stabilization of Halide-Anion Pairs in Small Water ClustersMaxwell P Hoffman, Sotiris S XantheasThe Journal of Physical Chemistry. B|November 19, 2008
Computational investigation of the first solvation shell structure of interfacial and bulk aqueous chloride and iodide ionsCollin D Wick, Sotiris S XantheasPageof 15