All Stories

  1. TDDFT and the x-ray absorption spectrum of liquid water: Finding the “best” functional

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

    Lars G.M. Pettersson

  2. Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

    Article • Structural Dynamics, January 2022, American Institute of Physics

    Lars G.M. Pettersson

  3. Radial distribution functions of water: Models vs experiments

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

    Lars G.M. Pettersson

  4. A proposal for the structure of high- and low-density fluctuations in liquid water

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

    Lars G.M. Pettersson

  5. Translational and rotational dynamics of high and low density TIP4P/2005 water

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

    Lars G.M. Pettersson, Nuno Galamba

  6. X-ray absorption spectrum simulations of hexagonal ice

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

    Lars G.M. Pettersson

  7. Atom-specific activation in CO oxidation

    Article • The Journal of Chemical Physics, December 2018, American Institute of Physics

    Lars G.M. Pettersson, Jerry LaRue

  8. Calculation of the vibration–rotational transition intensities of water molecules trapped in an argon matrix: stretching O–H vibrations spectral region

    Article • Molecular Physics, June 2017, Taylor & Francis

    Professor Valdas Sablinskas, Lars G.M. Pettersson

  9. Requirements of first-principles calculations of X-ray absorption spectra of liquid water

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Lars G.M. Pettersson

  10. Unique water-water coordination tailored by a metal surface

    Article • The Journal of Chemical Physics, June 2013, American Institute of Physics

    Lars G.M. Pettersson

  11. Solvation structures of protons and hydroxide ions in water

    Article • The Journal of Chemical Physics, April 2013, American Institute of Physics

    Lars G.M. Pettersson

  12. Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range

    Article • The Journal of Chemical Physics, February 2013, American Institute of Physics

    Lars G.M. Pettersson

  13. Microscopic probing of the size dependence in hydrophobic solvation

    Article • The Journal of Chemical Physics, February 2012, American Institute of Physics

    Lars G.M. Pettersson

  14. Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: Assignment of the local molecular orbital symmetry

    Article • The Journal of Chemical Physics, January 2012, American Institute of Physics

    Takashi Tokushima, Lars G.M. Pettersson

  15. X-ray emission spectroscopy and density functional study of CO/Fe(100)

    Article • The Journal of Chemical Physics, January 2012, American Institute of Physics

    Lars G.M. Pettersson

  16. X-ray Raman scattering provides evidence for interfacial acetonitrile-water dipole interactions in aqueous solutions

    Article • The Journal of Chemical Physics, October 2011, American Institute of Physics

    Lars G.M. Pettersson

  17. Increased fraction of low-density structures in aqueous solutions of fluoride

    Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

    Lars G.M. Pettersson

  18. Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water

    Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  19. The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements

    Article • The Journal of Chemical Physics, February 2011, American Institute of Physics

    Lars G.M. Pettersson

  20. Vibrational interference effects in x-ray emission of a model water dimer: Implications for the interpretation of the liquid spectrum

    Article • The Journal of Chemical Physics, January 2011, American Institute of Physics

    Lars G.M. Pettersson

  21. Wide-angle X-ray diffraction and molecular dynamics study of medium-range order in ambient and hot water

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  22. In situ X-ray probing reveals fingerprints of surface platinum oxide

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  23. Spatially inhomogeneous bimodal inherent structure of simulated liquid water

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt

  24. Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Lars G.M. Pettersson, Dr Kjartan Thor Wikfeldt