Multiwfn forum / Fukui function-values

Re: Fukui function-values

dummy@example.com (Raja@Chem) — Mon, 20 Mar 2023 05:39:52 +0000

thank you, sir
I got more information from CDFT ( section 4.22.1)

Re: Fukui function-values

dummy@example.com (sobereva) — Wed, 15 Mar 2023 12:10:35 +0000

f- is a 3D real space function, you can calculate it at any position. So, you need to specify which position you want to calculate the value for.
If you hope to study atomic characters, you can calculate condensed Fukui function, see Section 4.7.3 of Multiwfn manual.

Fukui function-values

dummy@example.com (Raja@Chem) — Wed, 15 Mar 2023 06:53:24 +0000

Dear tian lu professor
I generated f- iso surface successfully based on manual section 4.5.4.1.
how can I get f- values. it is mandatory data for publication

thank you sir