### Abstract

A relationship between e_{i} the energy contribution of the ith localized molecular orbital, and 〈R_{3}〉_{i} = (〈x′^{2}〉〈y′^{2}〉〈z′^{2}〉)^{ 1 2}, the "statistical effective volume" of the ith LMO, is discussed for a series of ten-electron hydrides. The equation 1/e_{i} = m(〈R_{3}〉_{i})^{ 2 3} where m is a constant holds accurately for core, bond, and lone pair LMO densities.

Original language | English |
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Pages (from-to) | 197-203 |

Number of pages | 7 |

Journal | Chemical Physics Letters |

Volume | 44 |

Issue number | 2 |

DOIs | |

Publication status | Published - Dec 1 1976 |

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

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## Cite this

Daudel, R., Kapuy, E., Kozmutza, C., Goddard, J. D., & Csizmadia, I. G. (1976). Theory of lone pairs. A relationship between orbital energy contributions and the second moments of localized orbitals in ten-electron hydrides.

*Chemical Physics Letters*,*44*(2), 197-203. https://doi.org/10.1016/0009-2614(76)80490-3