From owner-chemistry@ccl.net Sun Jan  1 10:58:01 2017
From: "Jan Jensen compchemhighlights ~~ gmail.com" <owner-chemistry]=[server.ccl.net>
To: CCL
Subject: CCL: Computational Chemistry Highlight: December issue
Message-Id: <-52577-170101052434-3548-ipVMGbFX4vMpM1EbNDTfWQ]=[server.ccl.net>
X-Original-From: Jan Jensen <compchemhighlights|a|gmail.com>
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Date: Sun, 1 Jan 2017 11:24:28 +0100
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Sent to CCL by: Jan Jensen [compchemhighlights:+:gmail.com]
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The December issue of Computational Chemistry Highlights
<http://www.compchemhighlights.org/2016_12_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:


Ultra-fast computation of electronic spectra for large systems by
tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
<http://www.compchemhighlights.org/2016/12/ultra-fast-computation-of-electronic.html>


Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of
2-Formyl Phenylnitrene to an Imino Ketene in Low-Temperature Matrixes
<http://www.compchemhighlights.org/2016/12/evidence-of-nitrene-tunneling-reaction.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 December issue of=C2=A0=
<a href=3D"http://www.compchemhighlights.org/2016_12_01_archive.html">Compu=
tational Chemistry Highlights</a>=C2=A0is out.</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><p style=3D"margin:0px;color:rgb(0,0,0);font-family:times;fon=
t-size:medium;font-variant-ligatures:normal">CCH is an=C2=A0<a href=3D"http=
://en.wikipedia.org/wiki/Overlay_journal">overlay journal</a>=C2=A0that ide=
ntifies the most important papers in computational and theoretical chemistr=
y 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=A0<a href=3D"h=
ttp://proteinsandwavefunctions.blogspot.com/2012/02/computational-chemistry=
-highlights-new.html">You can read more about it here</a>.</p><p style=3D"m=
argin: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-fami=
ly:times;font-size:medium;font-variant-ligatures:normal">Table of content f=
or this issue features contributions from CCH editors Steven Bachrach and J=
an Jensen:</p><p style=3D"margin:0px;color:rgb(0,0,0);font-family:times;fon=
t-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"><a href=3D"http://www.compchemhighlights.org/2016/12/ultra-fast-co=
mputation-of-electronic.html">Ultra-fast computation of electronic spectra =
for large systems by tight-binding based simplified Tamm-Dancoff approximat=
ion (sTDA-xTB)</a></p><div style=3D"color:rgb(0,0,0);font-family:times;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:medium;fo=
nt-variant-ligatures:normal"><p style=3D"margin:0px"><a href=3D"http://www.=
compchemhighlights.org/2016/12/evidence-of-nitrene-tunneling-reaction.html"=
>Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-F=
ormyl Phenylnitrene to an Imino Ketene in Low-Temperature Matrixes</a></p><=
p style=3D"margin:0px"><br></p><div><p style=3D"margin:0px">Interested in m=
ore?=C2=A0<a href=3D"http://www.compchemhighlights.org/p/get-cch-updates.ht=
ml">There are many ways to subscribe to CCH updates</a>.</p><p style=3D"mar=
gin:0px"><br></p><p style=3D"margin:0px">Also, for your daily computational=
 chemistry fix subscribe to=C2=A0<a href=3D"https://paper.li/janhjensen/141=
6314690">Computational Chemistry Daily</a></p></div></div></div>

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