A comprehensive quantum chemical study of the effect of pressure on the atoms of the periodic table has been published in J. Am. Chem. Soc. This extension of atomic reference data assists in the working of chemical intuition at extreme pressure and can act as a guide to both experiments and computational efforts.
Antea Cooper has joined the group over the summer. Antea has received a scholarship from the Chalmers/Virginia Initiative for Cosmic Origins and will work on quantum chemical studies of purine synthesis. Welcome Antea!
Drs. Stefano Racioppi and Francesco Sessa have joined the group to further our development of chemical bonding analysis!
Six Batchelor students have also joined us to study electron localization in molecules: Lova Wilske, Cecilia Bustrén, Alexander Andersson, Max Delvret, Pontus Havström and Henrik Skoglund.
To round off the year, interested readers can find a popular science summary of our most recent work on electronegativity here (the article is available in both English and in Swedish).
Merry Christmas and a Happy New Year!
The new scale is derived from photoionization data and ab initio calculated energies and provides hints for new alloy/compound designs.
An early view can be found here !