Multiwfn forum
Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
You are not logged in.
- Topics: Active | Unanswered
Pages: 1
#1 2021-06-05 12:14:26
- sourikanair
- Member
- Registered: 2020-05-27
- Posts: 12
ELF and LOL
I wish to study localization of electrons in dexamethasone molecule. While executing ELF of the molecule in a plane, I saw lot of options such as XY plane 2: XZ plane 3: YZ plane 4: Define by three atoms etc. To plot the entire ELF of the molecule which option is suitable?
Offline
#2 2021-06-05 12:43:32
Re: ELF and LOL
Please check Section 3.5.2 of Multiwfn manual, the meaning of various options for defining the plotting plane has been described.
PS: Since dexamethasone is not a planar molecule, and there is no plane of great interest, plotting plane map may be not a good choice. Studying isosurface map of ELF/LOL instead may be more useful.
Offline
Pages: 1