Nonlocal van der Waals density functional: The simpler the better

• Benchmarking crystal structure refinement: A systematic study on Hirshfeld atom refinement

  2025 Structural Dynamics article Chemistry Crystal structures of chemical compounds Open access

  8

  citations
• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

  2025 Angewandte Chemie International Edition article Chemistry Synthesis and Catalytic Reactions Open access

  2

  citations
• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

  2025 Angewandte Chemie article Chemistry Synthesis and Catalytic Reactions Open access

  0

  citations
• Limits of BOSS DFT: O2 + Al(111) Dynamics on a Screened Hybrid Van der Waals DFT Potential Energy Surface

  2025 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  2

  citations
• Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices

  2023 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  13

  citations
• Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface

  2021 Chinese Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  6

  citations
• Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H 2 + Cu(111), D 2 + Ag(111), H 2 + Au(111), and D 2 + Pt(111)

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  23

  citations
• Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  96

  citations

8 results