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#1 2022-10-11 16:45:18

AlessioM
Member
Registered: 2022-10-11
Posts: 11

Superdelocalizability index

Good morning to everyone

First of all thanks to the developers of Multiwfn works very well.

I have one question about superdelocalizability index:

As reported in the manual those index can be calculate for closed shell system, for my case i need that also for open shell system (because in our study we would like to compare them with semiempirical calculation) someone can help me?

thank you

bye!

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#2 2022-10-11 17:30:34

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,830
Website

Re: Superdelocalizability index

I didn't notice definition of superdelocalizability index for open-shell systems from the papers I have seen, if you have any paper containing formula of this index for open-shell system, please let me know.

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