CCL: Quantification of non-covalent interactions
- From: Caio Firme <firme.caio^^^gmail.com>
- Subject: CCL: Quantification of non-covalent interactions
- Date: Thu, 18 May 2023 10:30:50 -0300
Please, read the following paper about LPE (local potential energy):
https://www.sciencedirect.com/science/article/abs/pii/S2210271X21000025
All the best
Caio
Em qui., 18 de mai. de 2023 04:27, SUMANGLA ARORA arorasumangla,,gmail.com <
owner-chemistry%x%ccl.net> escreveu:
>
> Sent to CCL by: "SUMANGLA ARORA" [arorasumangla[]gmail.com]
> Dear All,
>
> I have generated NCI plots using Multiwfn software and created 3D VMD
> figures
> based on these plots. Now, I need to quantify non-covalent interactions at
> specific points of interest. I would greatly appreciate your guidance in
> resolving this matter.
>
> Thanks & Regards
> Sumangla>
>
>