The localized orbital approach to molecular structure

Leroy, Georges;Peeters, Daniel
(1988) Journal of Molecular Structure: THEOCHEM — Vol. 46, p. 257-271 (1988)

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Authors
  • Leroy, GeorgesUCLouvain
    Author
  • Peeters, DanielUCLouvain
    Author
Abstract
It is shown that the electronic structure of any chemical species can be described by means of the centroids of charge of localized orbitals. The corresponding results are often close to the conventional representation although in several cases new original information is obtained.
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Leroy, G., & Peeters, D. (1988). The localized orbital approach to molecular structure. Journal of Molecular Structure: THEOCHEM, 46, 257-271. https://doi.org/10.1016/0166-1280(88)80264-1 (Original work published 1988)