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, David Bowler, and and Jan Jensen:

Diels–Alder Reactivities of Benzene, Pyridine, and Di-, Tri-, and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions

Consistent structures and interactions by density functional theory with small atomic orbital basis sets

Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical

Nitrone Cycloadditions of 1,2-Cyclohexadiene

Reproducibility in density functional theory calculations of solids

Coronene-Containing N-Heteroarenes: 13 Rings in a Row

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This work is licensed under a Creative Commons Attribution 4.0