Computational Chemistry Highlights: October issue

The October 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 Jan Jensen:

Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water

INDO/X: A New Semiempirical Method for Excited States of Organic and Biological Molecules

Tunneling Assists the 1,2-Hydrogen Shift in N-Heterocyclic Carbenes

The Negative Ion Photoelectron SSpectrum of Cyclopropane-1,2,3-Trione Radical Anion, (CO)3•– — A Joint Experimental and Computational Study

Design and synthesis of the first triply twisted Möbius annulene

Competition Between Concerted and Stepwise Dynamics in the Triplet Di-π-Methane Rearrangement

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