Paul Geerlings

1. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
   2022/01/01 by Andrew M. Teale, Trygve Helgaker, Andreas Savin +67 · 13 citations
   Chemical Engineering · Materials Science · Physics and Astronomy · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Advanced Chemical Physics Studies
2. Conceptual density functional theory: status, prospects, issues
   2020/01/31 by Paul Geerlings, Eduardo Chamorro, Pratim Kumar Chattaraj +9 · 5 citations
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Free Radicals and Antioxidants #Spectroscopy and Quantum Chemical Studies
3. Reactivity of Ambident Nucleophiles in Magnetic Fields: a Combined Conceptual DFT and Current-DFT Study
   2026/07/24 by Bang C. Huynh, Meilani Wibowo-Teale, Andrew M. Wibowo-Teale +2
   #physics.chem-ph