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#1 Multiwfn and wavefunction analysis » calculation of atomic volume and visualization of atomic basin » 2020-01-26 02:29:03
- vishnurchari
- Replies: 1
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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