From owner-chemistry |-at-| ccl.net Sat Oct  1 13:16:00 2016
From: "Jan Jensen compchemhighlights/./gmail.com" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL: Computational Chemistry Highlight: September issue
Message-Id: <-52388-161001060508-19441-pHZjM1MD3nrg5jtt5OusFg-#-server.ccl.net>
X-Original-From: Jan Jensen <compchemhighlights^gmail.com>
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Date: Sat, 1 Oct 2016 12:05:02 +0200
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Sent to CCL by: Jan Jensen [compchemhighlights\a/gmail.com]
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The September issue of Computational Chemistry Highlights
<http://www.compchemhighlights.org/2016_09_01_archive.html> is out.


CCH is an overlay journal <http://en.wikipedia.org/wiki/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
<http://proteinsandwavefunctions.blogspot.com/2012/02/computational-chemistry-highlights-new.html>
.


Table of content for this issue features contributions from CCH editors
Steven Bachrach and Jan Jensen:


Multiscale Quantum Mechanics/Molecular Mechanics Simulations with Neural
Networks
<http://www.compchemhighlights.org/2016/09/multiscale-quantum-mechanicsmolecular.html>


Polytriangulane
<http://www.compchemhighlights.org/2016/09/polytriangulane.html>


Enediyne Cyclization on Au(111)
<http://www.compchemhighlights.org/2016/09/enediyne-cyclization-on-au111.html>


Redox-Dependent Transformation of a Hydrazinobuckybowl between Curved and
Planar Geometries
<http://www.compchemhighlights.org/2016/09/redox-dependent-transformation-of.html>


Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of
Spinosyn A
<http://www.compchemhighlights.org/2016/09/dynamically-complex-64-and-42.html>


Interested in more? There are many ways to subscribe to CCH updates
<http://www.compchemhighlights.org/p/get-cch-updates.html>.


Also, for your daily computational chemistry fix subscribe to Computational
Chemistry Daily <https://paper.li/janhjensen/1416314690>

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<div dir=3D"ltr"><p style=3D"margin:0px;color:rgb(0,0,0);font-family:times;=
font-size:medium;font-variant-ligatures:normal">The September issue of=C2=
=A0<a href=3D"http://www.compchemhighlights.org/2016_09_01_archive.html">Co=
mputational Chemistry Highlights</a>=C2=A0is out.</p><p style=3D"margin:0px=
;color:rgb(0,0,0);font-family:times;font-size:medium;font-variant-ligatures=
:normal"><br></p><p style=3D"margin:0px;color:rgb(0,0,0);font-family:times;=
font-size:medium;font-variant-ligatures:normal">CCH is an=C2=A0<a href=3D"h=
ttp://en.wikipedia.org/wiki/Overlay_journal">overlay journal</a>=C2=A0that =
identifies the most important papers in computational and theoretical chemi=
stry published in the last 1-2 years. CCH is not affiliated with any publis=
her: it is a free resource run by scientists for scientists.=C2=A0<a href=
=3D"http://proteinsandwavefunctions.blogspot.com/2012/02/computational-chem=
istry-highlights-new.html">You can read more about it here</a>.</p><p style=
=3D"margin:0px;color:rgb(0,0,0);font-family:times;font-size:medium;font-var=
iant-ligatures:normal"><br></p><p style=3D"margin:0px;color:rgb(0,0,0);font=
-family:times;font-size:medium;font-variant-ligatures:normal">Table of cont=
ent for this issue features contributions from CCH editors Steven Bachrach =
and Jan Jensen:</p><p style=3D"margin:0px;color:rgb(0,0,0);font-family:time=
s;font-size:medium;font-variant-ligatures:normal"><br></p><p style=3D"margi=
n:0px;color:rgb(0,0,0);font-family:times;font-size:medium;font-variant-liga=
tures:normal"><a href=3D"http://www.compchemhighlights.org/2016/09/multisca=
le-quantum-mechanicsmolecular.html">Multiscale Quantum Mechanics/Molecular =
Mechanics Simulations with Neural Networks</a></p><p style=3D"margin:0px;co=
lor:rgb(0,0,0);font-family:times;font-size:medium;font-variant-ligatures:no=
rmal"><br></p><div style=3D"color:rgb(0,0,0);font-family:times;font-size:me=
dium;font-variant-ligatures:normal"><p style=3D"margin:0px"><a href=3D"http=
://www.compchemhighlights.org/2016/09/polytriangulane.html">Polytriangulane=
</a></p></div><div style=3D"color:rgb(0,0,0);font-family:times;font-size:me=
dium;font-variant-ligatures:normal"><p style=3D"margin:0px"><br></p></div><=
div style=3D"color:rgb(0,0,0);font-family:times;font-size:medium;font-varia=
nt-ligatures:normal"><p style=3D"margin:0px"><a href=3D"http://www.compchem=
highlights.org/2016/09/enediyne-cyclization-on-au111.html">Enediyne Cycliza=
tion on Au(111)</a></p></div><div style=3D"color:rgb(0,0,0);font-family:tim=
es;font-size:medium;font-variant-ligatures:normal"><p style=3D"margin:0px">=
<br></p></div><div style=3D"color:rgb(0,0,0);font-family:times;font-size:me=
dium;font-variant-ligatures:normal"><p style=3D"margin:0px"><a href=3D"http=
://www.compchemhighlights.org/2016/09/redox-dependent-transformation-of.htm=
l">Redox-Dependent Transformation of a Hydrazinobuckybowl between Curved an=
d Planar Geometries</a></p></div><div style=3D"color:rgb(0,0,0);font-family=
:times;font-size:medium;font-variant-ligatures:normal"><p style=3D"margin:0=
px"><br></p></div><div style=3D"color:rgb(0,0,0);font-family:times;font-siz=
e:medium;font-variant-ligatures:normal"><p style=3D"margin:0px"><a href=3D"=
http://www.compchemhighlights.org/2016/09/dynamically-complex-64-and-42.htm=
l">Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis o=
f Spinosyn A</a></p><div><p style=3D"margin:0px"><br></p><p style=3D"margin=
:0px">Interested in more?=C2=A0<a href=3D"http://www.compchemhighlights.org=
/p/get-cch-updates.html">There are many ways to subscribe to CCH updates</a=
>.</p><p style=3D"margin:0px"><br></p><p style=3D"margin:0px">Also, for you=
r daily computational chemistry fix subscribe to=C2=A0<a href=3D"https://pa=
per.li/janhjensen/1416314690">Computational Chemistry Daily</a></p><p style=
=3D"margin:0px"><br></p><p style=3D"margin:0px"></p></div></div></div>

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