From owner-chemistry@ccl.net Wed Jun  1 09:36:01 2016
From: "Jan Jensen compchemhighlights~!~gmail.com" <owner-chemistry[A]server.ccl.net>
To: CCL
Subject: CCL: Computational Chemistry Highlights: May issue
Message-Id: <-52230-160601035322-31376-ABF2GAhZuZHbPu87plEQGA[A]server.ccl.net>
X-Original-From: Jan Jensen <compchemhighlights---gmail.com>
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Date: Wed, 1 Jun 2016 09:53:16 +0200
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Sent to CCL by: Jan Jensen [compchemhighlights[]gmail.com]
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The May issue of Computational Chemistry Highlights
<http://www.compchemhighlights.org/2016_05_01_archive.html> is out.


CCH is an overlay journal <http://en.wikipedia.org/wiki/Overlay_journal> th=
at
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-chemist=
ry-highlights-new.html>
.


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


Navigating molecular space for reaction mechanisms: an efficient, automated
procedure
<http://www.compchemhighlights.org/2016/05/navigating-molecular-space-for-r=
eaction.html>


Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons:
Relationship to C60
<http://www.compchemhighlights.org/2016/05/reactivity-and-selectivity-of-bo=
wl.html>


Heats of formation of platonic hydrocarbon cages by means of high-level
thermochemical procedures
<http://www.compchemhighlights.org/2016/05/heats-of-formation-of-platonic.h=
tml>


Chromophore=E2=88=92Protein Coupling beyond Nonpolarizable Models: Understa=
nding
Absorption in Green Fluorescent Protein
<http://www.compchemhighlights.org/2016/05/chromophoreprotein-coupling-beyo=
nd.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;line-height:normal">The May issue of=C2=A0<a href=3D"http:=
//www.compchemhighlights.org/2016_05_01_archive.html">Computational Chemist=
ry Highlights</a>=C2=A0is out.</p><p style=3D"margin:0px;color:rgb(0,0,0);f=
ont-family:Times;font-size:medium;line-height:normal"><br></p><p style=3D"m=
argin:0px;color:rgb(0,0,0);font-family:Times;font-size:medium;line-height:n=
ormal">CCH is an=C2=A0<a href=3D"http://en.wikipedia.org/wiki/Overlay_journ=
al">overlay journal</a>=C2=A0that identifies the most important papers in c=
omputational and theoretical chemistry published in the last 1-2 years. CCH=
 is not affiliated with any publisher: it is a free resource run by scienti=
sts for scientists.=C2=A0<a href=3D"http://proteinsandwavefunctions.blogspo=
t.com/2012/02/computational-chemistry-highlights-new.html">You can read mor=
e about it here</a>.</p><p style=3D"margin:0px;color:rgb(0,0,0);font-family=
:Times;font-size:medium;line-height:normal"><br></p><p style=3D"margin:0px;=
color:rgb(0,0,0);font-family:Times;font-size:medium;line-height:normal">Tab=
le of content for this issue features contributions from CCH editors Steven=
 Bachrach, Tobias Schwabe, and and Jan Jensen:</p><div style=3D"color:rgb(0=
,0,0);font-family:Times;font-size:medium;line-height:normal"><p style=3D"ma=
rgin:0px"><br></p></div><p style=3D"margin:0px;color:rgb(0,0,0);font-family=
:Times;font-size:medium;line-height:normal"><a href=3D"http://www.compchemh=
ighlights.org/2016/05/navigating-molecular-space-for-reaction.html">Navigat=
ing molecular space for reaction mechanisms: an efficient, automated proced=
ure</a></p><div style=3D"color:rgb(0,0,0);font-family:Times;font-size:mediu=
m;line-height:normal"><p style=3D"margin:0px"><br></p></div><div style=3D"c=
olor:rgb(0,0,0);font-family:Times;font-size:medium;line-height:normal"><p s=
tyle=3D"margin:0px"><a href=3D"http://www.compchemhighlights.org/2016/05/re=
activity-and-selectivity-of-bowl.html">Reactivity and Selectivity of Bowl-S=
haped Polycyclic Aromatic Hydrocarbons: Relationship to C60</a></p></div><d=
iv style=3D"color:rgb(0,0,0);font-family:Times;font-size:medium;line-height=
:normal"><p style=3D"margin:0px"><br></p></div><div style=3D"color:rgb(0,0,=
0);font-family:Times;font-size:medium;line-height:normal"><p style=3D"margi=
n:0px"><a href=3D"http://www.compchemhighlights.org/2016/05/heats-of-format=
ion-of-platonic.html">Heats of formation of platonic hydrocarbon cages by m=
eans of high-level thermochemical procedures</a></p></div><div style=3D"col=
or:rgb(0,0,0);font-family:Times;font-size:medium;line-height:normal"><p sty=
le=3D"margin:0px"><br></p></div><div style=3D"color:rgb(0,0,0);font-family:=
Times;font-size:medium;line-height:normal"><p style=3D"margin:0px"><a href=
=3D"http://www.compchemhighlights.org/2016/05/chromophoreprotein-coupling-b=
eyond.html">Chromophore=E2=88=92Protein Coupling beyond Nonpolarizable Mode=
ls: Understanding Absorption in Green Fluorescent Protein</a></p><div><p st=
yle=3D"margin:0px"><br></p><div><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 your daily computational che=
mistry fix subscribe to=C2=A0<a href=3D"https://paper.li/janhjensen/1416314=
690">Computational Chemistry Daily</a></p><p style=3D"margin:0px"><br></p><=
p style=3D"margin:0px"></p></div></div></div></div>

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