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#1 Multiwfn and wavefunction analysis ? Hirshfeld surface analysis using Multiwfn ? 2024-12-30 02:12:01
- gao@gao@gao@gao
- Replies: 1
Can there be metal atoms inside the structure when using Multiwfn for Hirshfeld surface analysis?
#2 Multiwfn and wavefunction analysis ? Constructing Cluster Models with Multiwfn ? 2024-12-30 02:10:14
- gao@gao@gao@gao
- Replies: 1
When using Multiwfn to construct a cluster model, Multiwfn does not recognise the type of atom correctly, for example, when I have an N atom, it recognises it as a C atom, how can this be resolved?
In the picture, the ones circled in red are supposed to be N atoms, but they are recognised as C atoms, how can this be solved?
#3 Re: Multiwfn and wavefunction analysis ? Fingerprinting with Multiwfn ? 2024-09-27 13:55:11
I see that a previous teacher said that the spikes in the lower left corner represent hydrogen bonds to each other left and right, so do you know what those scattered dots in the upper right corner of my drawing represent?thank you！
#4 Multiwfn and wavefunction analysis ? Fingerprinting with Multiwfn ? 2024-09-25 07:16:47
- gao@gao@gao@gao
- Replies: 3
May I ask why the fingerprints I draw with the same cif file are not the same as those of others?
And I mapped it out like this
How can you tell who's right and who's wrong?Is it something to do with the center atom chosen?
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