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#1 2020-01-26 02:29:03
- vishnurchari
- Member
- Registered: 2020-01-26
- Posts: 1
calculation of atomic volume and visualization of atomic basin
can we perform calculation of atomic volume and visualization of atomic basin as is performed in "Theoretical investigations on the reaction of monosubstituted tertiary-benzylamine selenols with hydrogen peroxide" (https://doi.org/10.1021/jp105651x) using Multiwfn_3.7?
the authors of this paper have used AIMAll (Version 10.03.25) for this purpose.
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#2 2020-01-26 23:27:28
Re: calculation of atomic volume and visualization of atomic basin
I just published a video tutorial on how to plot this kind of map, see: Drawing AIM basins (atomic basins) in Multiwfn and VMD (https://youtu.be/9D5do80XcbI)
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