Construct · 1 fields · 1 citations

natural bond orbital analysis: a standalone construct

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Theoretical chemistry

localized orbital analysis of a wave function into Lewis-like bonds and lone pairs, with donor-acceptor interactions measuring delocalization.

In theoretical chemistry, natural bond orbital analysis refers to localized orbital analysis of a wave function into Lewis-like bonds and lone pairs, with donor-acceptor interactions measuring delocalization. This meaning comes from Reed (1988) in Chemical Reviews.[1]

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Nearby constructs

bond2 fields · 2 citationsjingle · one word, two constructs function5 fields · 6 citationsjingle · one word, five constructs natural3 fields · 7 citationsjingle · one word, three constructs

References

Reed, A. E., Curtiss, L. A., & Weinhold, F. (1988). Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chemical Reviews, 88(6), 899-926. https://doi.org/10.1021/cr00088a005

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