Welcome to the Theoretical Chemistry Group
News
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New Paper out!
Congratulations, Esma, on your paper about modelling X-Ray absorption spectra of transition metal phtalocyanines. https://pubs.rsc.org/doi.org/10.1039/D4CP01900H
July 2024
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New Paper out
Finally, the second article by Tina and Michael Roemelt was accepted. https://pubs.rsc.org/doi.org/10.1039/D4CP00967C
June 2024
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New Paper out!
Congratulations, Gurjot, on your paper about the electronic and geometric structure of two interconvertible Cobalt–Oxygen TAML compounds. https://pubs.acs.org/doi/10.1021/jacs.3c14346
May 2024
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Bachelor Thesis defended!
We congratulate Eugenio to the very succesful defence of his bachelor's thesis.
April 2024
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HUMMR-Hackathon 2024
The first of hopefully many HUMMR-hackathons in Warnemünde was a blast.
March 2024
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New Paper out!
Congratulations, Philipp, on your paper about selectively crystallized Bis(disiloxido)ferrate(II) allogons and their properties https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202303614
December 2023
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Congratulations, Eric, on being accepted for the Walter Benjamin Programme of the DFG
The research project aims at a microscopic understanding of thermal reaction mechanisms and molecular spin properties in polaritonic chemistry. Ab initio electronic structure methods will be developed for closed- and open-shell molecules strongly coupled to low-frequency optical cavities.
December 2023
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New Paper out!
Congratulations, Esma, on your paper about light-driven reduction of CO2
https://pubs.rsc.org/en/content/articlehtml/2023/sc/d3sc02679e
November 2023
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Welcome to the group, Dr. Eric Fischer.
Dr. Eric Fischer joins the Quantum Chemistry Group as a guest scientist for four month.
September 2023
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Presentation Award at the QBIC VI
Congratulations to Esma on winning the prize for the best oral presentation at the 6th Quantum Bio-Inorganic Chemistry Conference in Warsaw.
September 2023
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Congratulations, Mihkel, on your paper about spin-adapted heatbath-CI, August 2023.
https://onlinelibrary.wiley.com/doi/full/10.1002/jjc.27203
September 2023
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Good news: Our proposal for a new computer cluster has been accepted by the DFG
August 2023