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Paul L. A. Popelier

An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors
Revitalizing the concept of bond order through delocalization measures in real space
Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT)
Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs
Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices

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