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Benchmarks data


  • 2024.07
    M. Swart, M. Reimann
    "A benchmark study of dioxygen complexes based on coupled cluster and density functional theory"
    SciPost Chem. 2024, 3, 001
    10.21468/SciPostChem.3.1.001
    Open access: 10.21468/SciPostChem.3.1.001
    Open data: 10.26434/chemrxiv-2023-56kdv-v2
  • 2007.03
    M. Swart, M. Solà and F.M. Bickelhaupt
    "Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods"
    J. Comput. Chem. 2007, 28, 1551-1560

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