Computational Chemistry Highlights: September issue

The September 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 and Jan Jensen:

Why Bistetracenes Are Much Less Reactive Than Pentacenes in Diels–Alder Reactions with Fullerenes

A General Quantum Mechanically Derived Force Field (QMDFF) for Molecules and Condensed Phase Simulations

Perspective: Fifty years of density-functional theory in chemical physics

A Quantum Mechanical “Jack in the Box”: Rapid Rearrangement of a Tetrahedryl-Tetrahedrane via Heavy Atom Tunneling

Fullerene Van der Waals Oligomers as Electron Traps

Transition State Analysis of Enantioselective Brønsted Base Catalysis Chiral Cyclopropenimines

8π-Electron Tautomeric Benziphthalocyanine: A Functional Near-Infrared Dye with Tunable Aromaticity

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