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by unkcpz
Sun Sep 11, 2016 2:44 am
Forum: Bader
Topic: Can bader presents the location of lone pairs?
Replies: 1
Views: 11979

Can bader presents the location of lone pairs?

Dear all,
I want to know, how can I locate the lone pairs of an atom in crystal by using bader.

For example, O atom in water H2O is sp3 hybridization which contains 2 $\sigma$ bonds and two lone pairs.
Can I use bader to present the location(may be Bader maxima?) and the volume of lone pairs ...