All Stories

  1. Origins of NpO22+ XAS features: Hydrated compared to isolated NpO22+

    Article • The Journal of Chemical Physics, May 2025, American Institute of Physics

    Paul S. Bagus

  2. The XPS of pyridine: A combined theoretical and experimental analysis

    Article • The Journal of Chemical Physics, February 2025, American Institute of Physics

    Paul S. Bagus

  3. Chemical information from XPS: Theory and experiment for Ni(OH)2

    Article • The Journal of Chemical Physics, October 2024, American Institute of Physics

    Paul S. Bagus

  4. Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3

    Article • The Journal of Chemical Physics, March 2021, American Institute of Physics

    Paul S. Bagus

  5. Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity

    Article • The Journal of Chemical Physics, November 2020, American Institute of Physics

    Paul S. Bagus

  6. Cluster embedding of ionic systems: Point charges and extended ions

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Paul S. Bagus

  7. Validation of Koopmans' theorem for density functional theory binding energies

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Francesc Illas, Paul S. Bagus

  8. Theoretical analysis of the U L3-edge NEXAFS in U oxides

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Paul S. Bagus

  9. Surface core-level binding energy shifts for MgO(100)

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Paul S. Bagus

  10. The interpretation of XPS spectra: Insights into materials properties

    Article • Surface Science Reports, June 2013, Elsevier

    Paul S. Bagus

  11. Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

    Article • Journal of Electron Spectroscopy and Related Phenomena, October 1999, Elsevier

    Paul S. Bagus

  12. The Ground and Excited States of Oxides

    Article • Springer Science + Business Media

    Paul S. Bagus