Computational Chemistry Highlights: November issue

The November 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, Marcel Swart, Thomas Cundari, and Jan Jensen:

A Hierarchy of Methods for the Energetically Accurate Modeling of Isomerism in monosaccarides

Polyoxometalates are cationic, not anionic

Predicting pKa of Amines for CO2 Capture: Computer versus Pencil and Paper

Experimental and Theoretical Investigation of 1JCC and nJCC Coupling Constants in Strychnine

Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules

Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe

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