Computational Chemistry Highlights: December issue

The December 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 Alán Aspuru-Guzik, Robert Paton, Steven Bachrach, David Bowler, and Jan Jensen:

Discovering chemistry with an ab initio nanoreactor

How Electronic Dynamics with Pauli Exclusion Produces Fermi-Dirac Statistics

Computational Chemistry: 2014 in numbers

Two review articles for the general audience

Benchmarking Ab Initio Binding Energies of Hydrogen-Bonded Molecular Clusters Based on FTIR Spectroscopy

Hypercubane: DFT-based prediction of an Oh-symmetric double-shell hydrocarbon

Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter Systems

Gas-Phase Preparation of Carbonic Acid and Its Monomethyl Ester

Tautomerism in Neutral Histidine

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This work is licensed under a Creative Commons Attribution 4.0