<![CDATA[Multiwfn forum / calculation of atomic volume and visualization of atomic basin]]> http://sobereva.com/wfnbbs/viewtopic.php?id=269 Sun, 26 Jan 2020 23:27:28 +0000 FluxBB <![CDATA[Re: calculation of atomic volume and visualization of atomic basin]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=829#p829 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)

]]> Sun, 26 Jan 2020 23:27:28 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=829#p829 <![CDATA[calculation of atomic volume and visualization of atomic basin]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=823#p823 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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