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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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