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Friday, June 1, 2012

Computational Chemistry Highlights: May issue


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 CCH editors Steven Bachrach, Dean Tantillo, Dmitri Fedorov, and Jan Jensen:

On the aromatic stabilization of corannulene and coronene

Computational Design and Selection of Optimal Organic Photovoltaic Materials


Energy Decomposition Analysis in Solution Based on the Fragment Molecular Orbital Method


Amino acid-catalyzed aldol and Michael reactions


ROBIA and Dolabriferol

Quantitative NMR-Derived Interproton Distances Combined with Quantum Mechanical Calculations of 13C Chemical Shifts in the Stereochemical Determination of Conicasterol F, a Nuclear Receptor Ligand from Theonella swinhoei


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