CCL:G: OPTIMIZATION OF ZWITTERIONIC MOLECULE
- From: "CHARUTHA KALARIKKAL"
<charuthakalarikal16|*|iisertvm.ac.in>
- Subject: CCL:G: OPTIMIZATION OF ZWITTERIONIC MOLECULE
- Date: Wed, 14 Oct 2020 09:32:36 -0400
Sent to CCL by: "CHARUTHA KALARIKKAL"
[charuthakalarikal16#%#iisertvm.ac.in]
Dear All,
I would like to know more about the optimization of a zwitterionic molecule
in gaussian. How can I optimize the geometry of a molecule with localized
charges on some atom such as zwitterion? Whether the solvent system is
necessary for optimizing such molecules.