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Decoding Chemical Bonds: Assessment of the Basis Set Effect on Overlap Electron Density Descriptors and Topological Properties in Comparison to QTAIM.
J Phys Chem A. 2023 Sep 28;127(38):7997-8014. doi: 10.1021/acs.jpca.3c04504. Epub 2023 Sep 13.
J Phys Chem A. 2023.
PMID: 37703453
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