From owner-chemistry@ccl.net Mon Jul 20 14:31:01 2020 From: "Velu Arjuanan varjunftir%yahoo.com" To: CCL Subject: CCL: Charge deomposition Message-Id: <-54143-200720025010-7009-0tFv51qqBqFNbwGKri6+Tg.@.server.ccl.net> X-Original-From: Velu Arjuanan Content-Type: multipart/alternative; boundary="----=_Part_4139928_1178400383.1595227801340" Date: Mon, 20 Jul 2020 06:50:01 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: Velu Arjuanan [varjunftir|-|yahoo.com] ------=_Part_4139928_1178400383.1595227801340 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable The charge for cationic and anionic fragments is +1 and -1, respectively. T= he spin multiplicity for both ion is 2 (doublet) Sent from Yahoo Mail on Android=20 =20 On Mon, 20 Jul 2020 at 12:15 PM, Partha Sengupta anapspsmo:_:gmail.com wrote: Sir, I have to calculate charge decompositi= on of C6H5Cl using Multiwfn. For the total molecule charge is 0 with multip= licity 1. Now what will be the charge and multiplicity for "C6H5" fragment = and "Cl" fragment.=C2=A0Waiting for response.Partha. --=20 Dr. Partha Sarathi Sengupta Associate Professor Vivekananda Mahavidyalaya, Burdwan =20 ------=_Part_4139928_1178400383.1595227801340 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable The charge for cationic and anionic fragments is +1 and -1, respectively. T= he spin multiplicity for both ion is 2 (doublet)


On Mon, 20 Jul 20= 20 at 12:15 PM, Partha Sengupta anapspsmo:_:gmail.com
<owner-c= hemistry:+:ccl.net> wrote:
Sir, I have to calculate charge decomposition of = C6H5Cl using Multiwfn. For the total molecule charge is 0 with multi= plicity 1. Now what will be the charge and multiplicity for "C6H5" fragment= and "Cl" fragment. 
Waiting for response.
Partha.
=


--
Dr. Partha Sarat= hi Sengupta
Associate Professor
Vivekananda Mahavidyalaya, Burdwan
------=_Part_4139928_1178400383.1595227801340--