Abstract
The generalized expressions of bond order and valence in the maximum overlap population principle are presented. These expressions, which can be used not only for closed-shell systems but also for open-shell systems, are also employed to discuss briefly the relations between Mayer's bond order and Gopinathan and Jug's bond valence, and between Mayer's valence and Gopinathan and Jug's atomic valence number, within the framework of the maximum overlap population principle.
| Original language | English |
|---|---|
| Pages (from-to) | 193-197 |
| Number of pages | 5 |
| Journal | Journal of Molecular Structure: THEOCHEM |
| Volume | 282 |
| Issue number | 3 |
| DOIs | |
| State | Published - Jun 1993 |
ASJC Scopus subject areas
- Biochemistry
- Condensed Matter Physics
- Physical and Theoretical Chemistry