Multiwfn forum / values: ELF

Re: values: ELF

dummy@example.com (sobereva) — Wed, 08 May 2024 14:23:57 +0000

Section 4.5.3 of Multiwfn manual clearly illustrated how to obtain exact bifurcation value for ELF-pi and ELF-sigma by topology analysis. After obtaining the values, manually taking their average.

Re: values: ELF

dummy@example.com (kistry100) — Wed, 08 May 2024 11:51:24 +0000

Yes I want to obtain mean bifurcation values of ELFσ and ELFπ. Study of the influence of substituents on the delocalization of pi electrons in polyphenol chains

Re: values: ELF

dummy@example.com (sobereva) — Tue, 07 May 2024 18:16:19 +0000

I don't know what is ELFs and ELFp, do you mean ELF-sigma and ELF-pi?

I also don't know what do you want to obtain exactly, do you mean bifurcation value?

values: ELF

dummy@example.com (kistry100) — Tue, 07 May 2024 18:13:59 +0000

how can I get only the values: total ELF, ELFs and ELFp, without drawings. I can make drawings.