Computational Chemistry Highlight: 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 Steven Bachrach, Theo Keane, Jesper Madsen, Ravi Kumar Venkatraman, and Jan Jensen:

An automated transition state search and its application to diverse types of organic reactions

How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?

An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields

Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model

Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics

More applications of computed NMR spectra

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This work is licensed under a Creative Commons Attribution 4.0