From owner-chemistry@ccl.net Thu Feb 1 09:10:00 2018 From: "Jan Jensen compchemhighlights() gmail.com" To: CCL Subject: CCL: Computational Chemistry Highlight: January issue Message-Id: <-53152-180201043741-19926-d/wH0Lt4Jgjp6vwyQeVkaw:+:server.ccl.net> X-Original-From: Jan Jensen Content-Type: multipart/alternative; boundary="001a113ef36874ce3d0564235861" Date: Thu, 1 Feb 2018 10:37:33 +0100 MIME-Version: 1.0 Sent to CCL by: Jan Jensen [compchemhighlights]~[gmail.com] --001a113ef36874ce3d0564235861 Content-Type: text/plain; charset="UTF-8" The January issue of Computational Chemistry Highlights is out. CCH is an overlay journal that identifies the most important papers in computational and theoretical chemistry published in the last 1-2 years. CCH is not affiliated with any publisher: it is a free resource run by scientists for scientists. You can read more about it here . Table of content for this issue features contributions from Steven Bachrach and Jan Jensen: Rational Density Functional Selection Using Game Theory Isotope-Controlled Selectivity by Quantum Tunneling: Hydrogen Migration versus Ring Expansion in Cyclopropylmethylcarbenes Antiaromatic compounds stabilized by benzenoid fusion Interested in contributing? Read more here Interested in more? There are many ways to subscribe to CCH updates . Also, for your daily computational chemistry fix subscribe to Computational Chemistry Daily This work is licensed under a Creative Commons Attribution 4.0 --001a113ef36874ce3d0564235861 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable

The January issue of=C2=A0<= a href=3D"http://www.compchemhighlights.org/2018_01_01_archive.html">Comput= ational Chemistry Highlights=C2=A0is out.


CCH is an=C2=A0overlay journal=C2=A0that iden= tifies the most important papers in computational and theoretical chemistry= published in the last 1-2 years. CCH is not affiliated with any publisher:= it is a free resource run by scientists for scientists.=C2=A0You can read more about it here.


Table of content fo= r this issue features contributions from Steven Bachrach and Jan Jensen:
Rational Density Functional Sel= ection Using Game Theory

--001a113ef36874ce3d0564235861-- From owner-chemistry@ccl.net Thu Feb 1 13:51:01 2018 From: "Thomas Daniel Crawford crawdad^vt.edu" To: CCL Subject: CCL: The Molecular Sciences Software Institute Community Survey Message-Id: <-53153-180201135022-14761-/o8P1ibP953CLaG6M4rXRw=-=server.ccl.net> X-Original-From: "Thomas Daniel Crawford" Date: Thu, 1 Feb 2018 13:50:21 -0500 Sent to CCL by: "Thomas Daniel Crawford" [crawdad%a%vt.edu] Dear Fellow Computational Chemists, The Molecular Sciences Software Institute was created by the U.S. National Science Foundation to serve as a nexus for research, education, and cooperation for the global computational molecular sciences community. We are asking you to help us fulfill that purpose by completing the MolSSI Community Survey. This should require less than 10 minutes of your time, but will provide us with important information about what community codes you use or develop, what computing platforms you prefer, and more (but absolutely no personal information!). https://molssi.typeform.com/to/MXzNzj Thanks in advance for your input! Feel free to share this email with anyone you know in the computational molecular sciences community! Sincerely, Prof. T. Daniel Crawford, Director The Molecular Sciences Software Institute (molssi.org)