#WomenInScience

#WomenInScience

Today we celebrate our female scientists with the United Nation’s International Day of Women and Girls in Science 😀

Thanks to our leaders Kathrin and Annette as well as our Postdoc Ljiljana for their present and future contributions to CO2 chemistry!

Kathrin on Citation Impact List

Kathrin on Citation Impact List

A group from Stanford has released a measurement of “citation impact during the single calendar year 2019” using data from Scopus before 06.05.20. The results are supposed to give the  top 100,000 scientist in the world as well as the top 2% of scientists of their main subfield discipline. Interestingly, CHOCO PI Kathrin is on the list (alongside 42 others from UiT The Arctic University of Norway)!  While the criteria to make the list have gotten some criticism, we nonetheless take the occasion to say hip hip hurray.

 

 

Reaction energies go Multiwavelet!

Reaction energies go Multiwavelet!

We have applied Multiwavelets (with the MRChem program) to metal-ligand interaction energies in our newest article, now available on ChemRxiv!  The work was performed by CHOCO PhD student Anders Brakestad, in collaboration with the group of Prof. Luca Frediani. Our conclusions are clear: Avoid triple-zeta basis sets for energies, go multiwavelet instead!

Multiwavelets Applied to Metal-Ligand Interactions: Energies Free from Basis Set Errors

As in every manuscript, we have hidden at least one CO2 molecule in the text – can you find it?

New Research Article: Rh‐catalyzed hydrocarboxylation

New Research Article: Rh‐catalyzed hydrocarboxylation

Congratulations to Ljiljana Pavlovic, Martin Pettersen, Ashot Gevorgyan, Janakiram Vaitla, Annette Bayer and Kathrin H. Hopmann on their recently accepted article in European Journal of Organic Chemistry!
The work investigates the factors controlling the enantioselectivity of the asymmetric Rh‐catalyzed hydrocarboxylation of α,β‐unsaturated carbonyl compounds with computational and experimental methods.

 

Read at:

Congratulations to Dr. Ismael !

Congratulations to Dr. Ismael !

Aya Ismael from the CHOCO research group at UiT defended her doctoral thesis titled “Method development towards synthesis of carbapenemase inhibitors” on the 26th of September 2020.

Evaluation Committee:

  • Professor Nina Kann, Chalmers Tekniska Högskola, Sweden  (first opponent)
  • Professor Bård Helge Hoff, Department of Chemistry, NTNU (second opponent)
  • Dr. Vijayaragavan Elumalai, Department of Chemistry, UiT (internal member and leader of the commitee)

Professor Nina Kann participated remotely to the event, and Dr. Yvonne Piotrowski, Department of Chemistry, UiT, acted as reserve member in case she lost her connection.

The trial lecture and public defence were both live-streamed via Mediasite, and the recording was publicly available for one week.

You can read Aya’s thesis here.

Congratulations to Dr. Marc Obst!

Congratulations to Dr. Marc Obst!

Congratulations to Dr. Marc Obst, the most recent PhD in the CHOCO group at UiT! He defended his thesis well and had good discussions with his opponents, Professor Stuart A. Macgregor and Dr. Amalia Poblador-Bahamonde, during a partly digital defense 4th of September.