Article number 100!!!

Last year has been an extremely productive year, with a total of 17 papers that appeared in journals. There are four papers that I would like to highlight in particular:

M. Swart, "A change in oxidation state of iron: scandium is not innocent"
Chem. Commun. 2013, 49, 6650-6652
http://dx.doi.org/10.1039/C3CC42200C

Scandium-capped iron-oxygen complex

I presented this paper as well at the International Conference on Bioinorganic Chemistry (ICBIC16) in Grenoble (FR) in July. And my results did make quite an impact, I would say, with quite a lively discussion after my talk (and in the days afterwards).


M. Garcia-Borràs, S. Osuna, M. Swart, J.M. Luis and M. Solà, "Maximum aromaticity as guiding principle for the most suitable hosting cages in endohedral metallofullerenes"
Angew. Chem. Int. Ed. 2013, 52, 9275-9278
http://dx.doi.org/10.1002/anie.201303636
[back-cover: http://dx.doi.org/10.1002/anie.201305725]

The Maximum Aromaticity crew

What can I say? It is always nice to have an Angewandte paper...


M. Swart, "Spin states of (bio)inorganic systems: successes and pitfalls"
Int. J. Quant. Chem. (Perspective) 2013, 113, 2-7
http://dx.doi.org/10.1002/qua.24255
[cover: http://dx.doi.org/10.1002/qua.24365]

One of the auto-discarded possibilities for the cover image

I had been asked to write this Perspective through Twitter (and what a fun way of receiving such an invitation!!), which deals with spin states and is highly related to the ECOSTBio COST Action that was approved last November.


M. Swart and F.M. Bickelhaupt, "Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H⁻ + CH₄ → CH₄ + H⁻"
Molecules 2013, 18, 7726-7738
http://dx.doi.org/10.3390/molecules18077726

DFT, CCSD, CCSD(T), CCSDT data for the smallest S_N2 reaction

This paper is my article number 100!!! :-)

*update1: I forgot to mention that in this article #100 we report reference
energies at the coupled cluster toward full configuration-interaction limit (CC-cf/CBS).

*update2: This week we celebrated the 100^th paper with a cake