From owner-chemistry _-at-_)ccl.net Thu Jun 1 09:32:00 2017 From: "Jan Jensen compchemhighlights],[gmail.com" To: CCL Subject: CCL: Computational Chemistry Highlight: May issue Message-Id: <-52820-170601033113-24372-uZraF/Q89COm9qfKgTejMQ%x%server.ccl.net> X-Original-From: Jan Jensen Content-Type: multipart/alternative; boundary="001a114168d62bf18a0550e10531" Date: Thu, 1 Jun 2017 09:31:07 +0200 MIME-Version: 1.0 Sent to CCL by: Jan Jensen [compchemhighlights],[gmail.com] --001a114168d62bf18a0550e10531 Content-Type: text/plain; charset="UTF-8" The May 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, Amelia Fitzsimmons, and Jan Jensen: Synthesis of a carbon nanobelt Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic Reactions Progress in DFT development and the density they predict Puckering Energetics and Optical Activities of [7]Circulene Conformers Empirical D3 dispersion as a replacement for ab initio dispersion terms in density functional theory-based symmetry-adapted perturbation theory Interested in more? There are many ways to subscribe to CCH updates . Interested in contributing? Read more here Also, for your daily computational chemistry fix subscribe to Computational Chemistry Daily --001a114168d62bf18a0550e10531 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable

The May issue of=C2=A0Computatio= nal Chemistry Highlights=C2=A0is out.


CCH is an=C2=A0overlay journal=C2=A0that identifi= es the most important papers in computational and theoretical chemistry pub= lished 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 for th= is issue features contributions from Steven Bachrach, =C2=A0Amelia Fitzsimm= ons, and Jan Jensen:


Synthesis of a carbon nanobelt





Empirical D3 dispersion as a re= placement for ab initio dispersion terms in density functional theory-based= symmetry-adapted perturbation theory

<= br>


Interested i= n more?=C2=A0There are many ways to subscribe to CCH updates.


Interested in contributing? =C2= =A0Read more here


<= p style=3D"margin:0px">Also, for your daily computational chemistry fix sub= scribe to=C2=A0Computati= onal Chemistry Daily


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