<![CDATA[Multiwfn forum / ELF and LOL]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=510 The most recent posts in ELF and LOL. Sat, 05 Jun 2021 12:43:32 +0000 FluxBB <![CDATA[Re: ELF and LOL]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1824#p1824

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.

 dummy@example.com (sobereva) Sat, 05 Jun 2021 12:43:32 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1824#p1824 <![CDATA[ELF and LOL]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1823#p1823

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?

 dummy@example.com (sourikanair) Sat, 05 Jun 2021 12:14:26 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1823#p1823
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