Re: Superdelocalizability index

dummy@example.com (sobereva) — Tue, 11 Oct 2022 17:30:34 +0000

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.

Superdelocalizability index

dummy@example.com (AlessioM) — Tue, 11 Oct 2022 16:45:18 +0000

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!

Multiwfn forum / Superdelocalizability index

Re: Superdelocalizability index

Superdelocalizability index