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 Alán Aspuru-Guzik, Andres Cisneros, Steven Bachrach, David Bowler, and Jan Jensen:

Construction of a Highly Distorted Benzene Ring in a Double Helicene

A computational drug design success story

Orbital-free density functional theory implementation with the projector augmented-wave method

Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions

Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

Assessment of theoretical procedures for a diverse set of isomerization reactions involving double-bond migration in conjugated dienes

Computational Design of a Time-Dependent Histone Deacetylase 2 Selective Inhibitor

Nonstatistical Dynamics in the Thermal Garratt−Braverman/[1,5]‑H Shift of One Ene−diallene: An Experimental and Computational Study

Popular Highlights of 2014

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This work is licensed under a Creative Commons Attribution 4.0