Flash lesson explains QTAIM’s role in defining atomic properties in molecular systems, suggesting it may be more complex than traditional methods.
As far as population analysis methods goes, the Quantum Theory of Atoms in Molecules (QTAIM) a.k.a Atoms in Molecules (AIM) has become a popular option for defining atomic properties in molecular systems, however, its calculation is a bit tricky and maybe not as straightforward as Mulliken’s or NBO.
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Joaquin Barroso (2014) studied this question.
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