Skip to main content



Visualizing #CoVFeFe

In principle, this week's blog entry should have been the end of my fun time with #CoVFeFe. But then @stuartcantrill came back with a reference to @Theresa_May:
So, is #CoVFeFe strong and stable, then? — Stuart Cantrill (@stuartcantrill) June 9, 2017 and I realised that I had left out some vital information about the #CoVFeFe cluster: the electronic structure. Therefore, the answer to Stu's question can be short (No) or long:

The molecular orbitals of #CoVFeFe are ordered in the following way (only showing the range from -3 to -5 eV):

From this MO-levels plot, one can see the different contributions from the metals to the different MOs. I have also made figures of what the MOs look like (see below). By far the two most interesting ones are however the following two:

The left one shows a canny resemblance to the haircut of @realdonaldtrump, while right one might be seen as Donald Duck (or maybe I am the only one who sees it like this?).

Long answer:
Returning now to the question…

Latest Posts

Exotic chemistry trumps nature

"Progress in theoretical chemistry: Biomolecules and Materials" Symposium (Sitges, June 25-29, 2017)

Bratislava Declaration for Young Researchers


Fellow of the Royal Society of Chemistry (#updated)

PhD scholarship available in Girona

Sign petition against budget cuts to COST program

Highly cited paper: Accurate spin-state energies

"Open Data" opened by Elsevier

Third New Year's resolution: Be creative!!!