Construct · 1 fields · 1 citations

quantum theory of atoms in molecules: a standalone construct

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Computational chemistry

a partition of molecules into atoms by zero-flux surfaces of the electron density, with bonds identified by density critical points.

In computational chemistry, quantum theory of atoms in molecules refers to a partition of molecules into atoms by zero-flux surfaces of the electron density, with bonds identified by density critical points. This meaning comes from Bader (1991) in Chemical Reviews.[1]

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Nearby constructs

density4 fields · 6 citationsjingle · one word, four constructs partition3 fields · 3 citationsjingle · one word, three constructs quantum4 fields · 7 citationsjingle · one word, four constructs

References

Bader, R. F. W. (1991). A quantum theory of molecular structure and its applications. Chemical Reviews, 91(5), 893-928. https://doi.org/10.1021/cr00005a013

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