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#1 Re: Multiwfn and wavefunction analysis ? QTAIM analysis ? 2019-06-27 15:48:43
please see this wfn file for above query
#2 Multiwfn and wavefunction analysis ? QTAIM analysis ? 2019-06-27 15:45:15
- rph51@mnnit.ac.in
- Replies: 2
Hello Sir,
First I want to say thanks for your great work.
Here I am trying to analyze the bond character between Mg and B in B7Mg2 cluster, however, there is no bond critical point between Mg9 and B4. Please tell me, how can I explain bond character between Mg9 and B4. Here, I am attaching the image, and a text file of CP generated by Multiwfn, and also wfn file for same.
Thanking your kindness.
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