Bond-Valence Analysis


A click on this menu-option results in a CALC COORDN loop prior to the bond-valence analysis.

The proposed valency and bond-valence sum are shown on the opening window.

Full details of the analysis can be found in the .lis and .lps files.

References:
I.D. Brown (2002) The Chemical Bond in Inorganic Chemistry - The Bond Valence Model, Oxford University Press

Note:
The analysis results are tentative and based on an internal table with contribution for atom pairs in various oxidation states. This table is incomplete.


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03-Feb-2011 A.L.Spek