From owner-chemistry@ccl.net Tue Sep 18 11:49:01 2018 From: "Kevin Theisen kevin%ichemlabs.com" To: CCL Subject: CCL: CAS collaborates with iChemLabs Message-Id: <-53465-180918103753-27429-iRDTqif2X+PDXdB1OfsmAA===server.ccl.net> X-Original-From: "Kevin Theisen" Date: Tue, 18 Sep 2018 10:37:51 -0400 Sent to CCL by: "Kevin Theisen" [kevin]~[ichemlabs.com] iChemLabs is pleased to announce our collaboration with CAS to integrate ChemDoodle (https://www.chemdoodle.com) and SciFinder-n (https://www.cas.org/products/scifinder-n). Our goal, as always, is to provide users with the best experience. If you have any feedback, please do contact CAS or iChemLabs, we really appreciate your thoughts and we will do our best to address them. "CAS, a division of the American Chemical Society, partnered with iChemLabs to optimize the efficiency of chemical structure drawing in SciFinder-n, especially in touch devices, using ChemDoodle. Built on the trusted chemical research collection from CAS, SciFinder-n sets a new standard with remarkably relevant search, incredible ease of use and answers you can take right to the lab." The full official announcement can be found on the CAS website: https://www.cas.org/resources/press- releases/cas-ichemlabs-collaboration Sincerely, Kevin Theisen President, iChemLabs 7305 Hancock Village Dr #525 Chesterfield, VA 23832 https://www.linkedin.com/in/iclkevin/ From owner-chemistry@ccl.net Tue Sep 18 12:24:01 2018 From: "faeze heidari heidari_faeze-,-yahoo.com" To: CCL Subject: CCL: NICS calculation Message-Id: <-53466-180918111058-29278-1WPPdJSAYB44iq/syoTsLA-$-server.ccl.net> X-Original-From: "faeze heidari" Date: Tue, 18 Sep 2018 11:10:57 -0400 Sent to CCL by: "faeze heidari" [heidari_faeze . yahoo.com] Hi. I need to calculate NICS for a supramolecular system including 6 molecules interacting through synthons.According to interactions what kind of methods and basis sets can i use? F.Heidari(heidari_faeze/./yahoo.com)