Saturday, February 2, 2013

Computational Chemistry Highlights: January issue


The January 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, Dmitri Fedorov and Jan Jensen:

Synthesis, Characterization, and Computational Studies of Cycloparaphenylene Dimers

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

FixSol solvation model and FIXPVA2 tessellation scheme

Graphene-derived nanorings of electronic power

Extreme oxatriquinanes and a record C–O bond length

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