"Decoding energy decomposition analysis: Machine-learned Insights on the ..."

Toni Oestereich, Ralf Tonner-Zech, Julia Westermayr (2024)

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DOI: 10.1002/JCC.27244

access: open

type: Journal Article

metadata version: 2024-03-08

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Toni Oestereich, Ralf Tonner-Zech, Julia Westermayr:
Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis. J. Comput. Chem. 45(7): 368-376 (2024)

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