CCL: NICS calculation
- From: David Shobe <shobedavid,+,gmail.com>
- Subject: CCL: NICS calculation
- Date: Sat, 6 Oct 2018 14:22:24 -0500
Does "synthon" have a new meaning I am unaware of? It's usually a
in synthesis planning, not computational chemistry.
On Sat, Oct 6, 2018, 2:02 PM faeze heidari heidari_faeze~~yahoo.com <
> Sent to CCL by: "faeze heidari" [heidari_faeze++yahoo.com]
> Hi.I need to calculate NICS in the center of supramolecular ring including
> 6 molecules interacting through synthons.What kind of new methods and basis
> sets can i use to calculate aromaticity?
> heidari_faeze * yahoo.com>