From owner-chemistry*- at -*ccl.net Sat Oct 6 15:24:00 2018 From: "David Shobe shobedavid^^gmail.com" To: CCL Subject: CCL: NICS calculation Message-Id: <-53501-181006152241-12539-iXPDUrNKVa4gPFGnom+1gQ . server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="000000000000745a130577944f6e" Date: Sat, 6 Oct 2018 14:22:24 -0500 MIME-Version: 1.0 Sent to CCL by: David Shobe [shobedavid%x%gmail.com] --000000000000745a130577944f6e Content-Type: text/plain; charset="UTF-8" Does "synthon" have a new meaning I am unaware of? It's usually a term used in synthesis planning, not computational chemistry. --David Shobe On Sat, Oct 6, 2018, 2:02 PM faeze heidari heidari_faeze~~yahoo.com < owner-chemistry-$-ccl.net> wrote: > > 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> > > --000000000000745a130577944f6e Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Does "synthon" have a new meaning I am unaware = of? It's usually a term used in synthesis planning, not computational c= hemistry.

--David Shobe
<= div dir=3D"auto">

On Sat, Oct 6, 2018, 2:02 PM faeze heidari heidari_faeze~~yahoo.com <owner-chemistry-$-ccl.net> wrote:

Sent to CCL by: "faeze=C2=A0 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



-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY-$-ccl.net or use:
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/cg= i-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST-$-ccl.net or use
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/cg= i-bin/ccl/send_ccl_message
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/chemi= stry/sub_unsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs
Conferences: http://server.ccl.= net/chemistry/announcements/conferences/

Search Messages: http://www.ccl.net/che= mistry/searchccl/index.shtml
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/spammers.txt
RTFI: http://www.ccl.net/chemistry/a= boutccl/instructions/


--000000000000745a130577944f6e--