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#1 Multiwfn and wavefunction analysis » ICSS Map-Figure generation » 2022-02-23 19:35:56
- paramusm
- Replies: 1
Is it possible to get the 2D ICSS Map of the molecules in the desired colors except listed in the multiwfn program as shown above. It would be grateful if you could help me to change the colors from intense to mild.
Thanks very much.
#2 Re: Multiwfn and wavefunction analysis » NICS Map » 2021-08-23 00:17:25
Dear Sir,
I am trying to develop the 2D NICS plots for a polymer containing 8 (D-A) octamer units. I made several attempts but failed to produce. May I know that is it possible to generate the same for a polymer molecule.
Looking forward to hear from you.
Thanks so much
#3 Multiwfn and wavefunction analysis » NICS Map » 2021-08-16 22:35:35
- paramusm
- Replies: 3
Dear Sir,
I have done the NICS calculations for a series of molecules having open-shell characteristics using Gaussian. I tried to develop NICS map based on the values extracted from gaussian (GIAO method) results. Please could you help me to develop the NICS map. It would be really grateful and your help is highly appreciated.
Thanks very much.
The model figure of NICS map is given below.
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