From owner-chemistry@ccl.net Wed Apr  1 07:22:01 2015
From: "Jan Jensen jhjensen : chem.ku.dk" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL: Computational Chemistry Highlights: March issue
Message-Id: <-51212-150401035350-32665-pKi8iap8aZwzP0x7VbqH7g|,|server.ccl.net>
X-Original-From: "Jan  Jensen" <jhjensen]_[chem.ku.dk>
Date: Wed, 1 Apr 2015 03:53:48 -0400


Sent to CCL by: "Jan  Jensen" [jhjensen[]chem.ku.dk]
The March issue of Computational Chemistry Highlights is out.
http://www.compchemhighlights.org/2015_03_01_archive.html

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. 

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

Thermodynamic Evaluation of Aromatic CH/ Interactions and Rotational Entropy in a Molecular 
Rotor
http://www.compchemhighlights.org/2015/03/thermodynamic-evaluation-of-aromatic-ch.html

A Case Study of the Mechanism of Alcohol-Mediated Morita Baylis- Hillman Reactions. The 
Importance of Experimental Observations
http://www.compchemhighlights.org/2015/03/a-case-study-of-mechanism-of-alcohol.html

Reinvestigation of the Stereochemistry of the C-Glycosidic Ellagitannins, Vescalagin and Castalagin
http://www.compchemhighlights.org/2015/03/reinvestigation-of-stereochemistry-of-c.html

Large-scale virtual high-throughput screening for the identification of new battery electrolyte 
solvents: computing infrastructure and collective properties
http://www.compchemhighlights.org/2015/03/large-scale-virtual-high-throughput.html

Selected publications of Stefan Grimme, Leibniz prize winner 2015
http://www.compchemhighlights.org/2015/03/selected-publications-of-stefan-grimme.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