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Marcel Swart, Marc Reimann
A benchmark study of dioxygen complexes based on coupled cluster and density functional theory
SciPost Chem., 2024, 3, 001
DOI: 10.21468/SciPostChem.3.1.001
OpenAccess: Link
Keywords: Computational chemistry, Method development, Predictive Chemistry, Spectroscopy

Marcel Swart
Bond orders in metalloporphyrins
Theor. Chem. Acc., 2020, 139, 160
DOI: 10.1007/s00214-020-02667-z
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Method development, Molecular similarity

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