%0 Journal Article %1 Oestereich2023 %A Oestereich, Toni %A Tonner‐Zech, Ralf %A Westermayr, Julia %D 2023 %I Wiley %J Journal of Computational Chemistry %K chemical_bonding density_functional_theory energy_decomposition_analysis feature_importance_analysis machine_learning %N 7 %P 368–376 %R 10.1002/jcc.27244 %T Decoding energy decomposition analysis: Machine‐learned Insights on the impact of the density functional on the bonding analysis %U http://dx.doi.org/10.1002/jcc.27244 %V 45

@article{Oestereich2023, added-at = {2024-12-11T13:46:08.000+0100}, author = {Oestereich, Toni and Tonner‐Zech, Ralf and Westermayr, Julia}, biburl = {https://puma.scadsai.uni-leipzig.de/bibtex/29c2a1c4a3fe8412c82f8a8ba7940df6e/scadsfct}, doi = {10.1002/jcc.27244}, interhash = {b8d8d56fbab868f5da40bdd04f775538}, intrahash = {9c2a1c4a3fe8412c82f8a8ba7940df6e}, issn = {1096-987X}, journal = {Journal of Computational Chemistry}, keywords = {chemical_bonding density_functional_theory energy_decomposition_analysis feature_importance_analysis machine_learning}, month = nov, number = 7, pages = {368–376}, publisher = {Wiley}, timestamp = {2024-12-11T13:46:54.000+0100}, title = {Decoding energy decomposition analysis: Machine‐learned Insights on the impact of the density functional on the bonding analysis}, url = {http://dx.doi.org/10.1002/jcc.27244}, volume = 45, year = 2023 }