Tuesday, May 1, 2012

Computational Chemistry Highlights: April issue

The April 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, Kieron Burke, Andres Cisneros, Sason Shaik, Robert Paton, Marcel Swart, and Jan Jensen:

Enzymatic catalysis of anti-Baldwin ring closure in Polyether Biosynthesis
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Resolution of identity approach for the Kohn-Sham correlation energy with exact-exchange random-phase approximation

Steric Crowding Can Stabilize a Labile Molecule: Solving the Hexaphenyethane Riddle
Hydrogen-bond stabilization in oxyanion holes: grand jetè to three dimensions
Conformations and Fluorescence of Encapsulated Stilbene
Quadruple bonding in C2 and analogous eight-valence electron species

Exchange-Enhanced Open-Shell States: Hund's rule for Bioinorganic Species Applied to H-abstraction
Editorial: First indication of impact

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