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#1 Re: Multiwfn and wavefunction analysis » bonding disappear in IGM analysis » 2022-07-07 06:17:21
Thank you so much for your valuable time prof. I will incorporate the changes mentioned by you and checked again.
with regards,
Boris W.
#2 Multiwfn and wavefunction analysis » bonding disappear in IGM analysis » 2022-07-07 02:53:40
- Boris_22
- Replies: 2
Dear Prof. Tian Lu
I tried to study the inter and intra molecular interaction between two fragments through IGM analysis following the instruction from the manual. But I found that the bond path between Zn and N disappear when i check the final result using VMD 1.9.3. I have used B3LYP basis set 6-311g for my calculation.
I am a beginner so i don't know what to do please help.
with regards
Boris W
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