Search found 1 match

by unkcpz
Sun Sep 11, 2016 2:44 am
Forum: Bader
Topic: Can bader presents the location of lone pairs?
Replies: 1
Views: 10122

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? Regard...