Multiwfn forum / IGM and BCP

Re: IGM and BCP

dummy@example.com (saeed_E) — Thu, 04 Jul 2024 23:11:27 +0000

Dear Tian,
Your highly informative and professional comments are extremely appreciated.

Sincerely,
Saeed

Re: IGM and BCP

dummy@example.com (sobereva) — Thu, 04 Jul 2024 23:00:06 +0000

Dear Saeed,

A BCP must be enclosed by a RDG or IRI isosurface, see discussion in my original paper of IRI: J Comput Chem. 2022;43:539–555.
BCPs are often very close to center of IGMH isosurfaces, but not necessarily be enclosed by IGMH isosurfaces.

Tian

IGM and BCP

dummy@example.com (saeed_E) — Thu, 04 Jul 2024 18:54:05 +0000

Dear Tian,

Please let me ask you a short question:

Is it true to state that 3-D isosurfaces of IGM/IGMH/NCI are ALWAYS emerge at the BCPs position? In other words, are BCPs always found at the center of disks corresponding to IGM/IGMH/NCI 3-D isosurfaces?

Sincerely,
Saeed