Construct · 1 fields · 1 citations

Wiberg bond index: a standalone construct

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Quantum chemistry

a bond order computed as the sum of squared density matrix elements between orbitals of two atoms in an orthogonal basis.

In quantum chemistry, Wiberg bond index refers to a bond order computed as the sum of squared density matrix elements between orbitals of two atoms in an orthogonal basis. This meaning comes from Wiberg (1968) in Tetrahedron.[1]

Unit
Recovery means
Measured by

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Nearby constructs

basis3 fields · 5 citationsjingle · one word, three constructs bond2 fields · 2 citationsjingle · one word, two constructs density4 fields · 6 citationsjingle · one word, four constructs

References

Wiberg, K. B. (1968). Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane. Tetrahedron, 24(3), 1083-1096. https://doi.org/10.1016/0040-4020(68)88057-3

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