Multiwfn forum / Using Multiwfn to calculate ELF-pi isosurface map for benzene (video)

Re: Using Multiwfn to calculate ELF-pi isosurface map for benzene (video)

dummy@example.com (sobereva) — Thu, 20 Dec 2018 08:16:56 +0000

ELF is a three-dimension function, when you refer ELF value, you need to explicitly mention which point the ELF was calculated for, or how did you study the "ELF value".

Re: Using Multiwfn to calculate ELF-pi isosurface map for benzene (video)

dummy@example.com (Saran) — Thu, 20 Dec 2018 07:51:16 +0000

Why the ELF values are always less in double bond than single bonds.?

i have done the electron localization function (ELF) analysis for my thioamide complexes. in the case of simple thioamide , C=S bond shows low elf value. after coordination of sulphur with metal ions the C-S bond (C-S-Cu-S-C) show higher elf value in complex.. why

Using Multiwfn to calculate ELF-pi isosurface map for benzene (video)

dummy@example.com (sobereva) — Wed, 27 Jun 2018 16:39:22 +0000

See https://youtu.be/hy6m-cg3r4g

This 32s video briefly illustrates how to use Multiwfn to very easily plot ELF-pi isosurface map for benzene, see Section 4.5.3 and 3.100.22 of Multiwfn manual for more information. Multiwfn 3.5 is used.