J. Chem. Theory Comput.: Joint publication RESOLV members Prof. D. Marx and Prof. J. Behler. Training accurate machine learning potentials requires electronic structure data comprehensively covering the configurational space of the system of interest. As the construction of this data is computationally demanding, many schemes for identifying the most important structures have been proposed. Here,…

Angew. Chem. Int. Ed.: Two RESOLV research groups, led by Prof. M. Kasanmascheff and Prof. T. Happe, published new findings on the properties of an iron-sulfur cluster in the hydrogen-generating hydrogenase CrHydA1.

PNAS: Researchers from Bochum, led by Prof. T. Happe, and researchers from Osaka have discovered how an extraordinary protein survives in the presence of oxygen.

Angew. Chem. Int. Ed.: RESOLV member, Prof. Dr. Max M. Hansmann presents a novel method to generate room-temperature stable diazoalkenes by cleaving carbophosphinocarbenes and carbodicarbenes with nitrous oxide (N₂O). The work highlights the untapped potential of NHC/N₂ and N₂/L exchange at carbon(0) centers for rapid molecular assembly.

J. Phys. Chem. Lett.: RESOLV member, Prof. André K. Eckhardt presents a novel gas-phase reaction that merges cycloaddition and cross-coupling in a single collision, enabling the in situ formation of aromatic molecules via a radical pathway. Crossed molecular beam experiments and electronic structure calculations reveal the formation of (substituted) arylacetylenes from 1,3-butadiynyl radicals and…

Nat. Chem.: RESOLV ECR group leader Dr. J. Cornellà and RESOLV Principle Investigator Prof. F. Neese and their teams published fascinating findings.

PNAS: In a collaborative study, researchers led by RESOLV scientists, Prof. J. Tatzelt, Prof. K. Winklhofer, and Prof. R. Winter, have gained valuable insight into the development of prion diseases of the brain.

Chem. Eur. J.: Joint publication RESOLV members Prof. K. Morgenstern and Prof. W. Sander. It is well established that the confinement of reactants to two dimensions influences their reactivity. However, such confinement is often dominated by charge transfer effects between the reactants and the confining walls, in particular if the walls are conductive. Also, the reactivity of carbenes on metal…

JACS: Single-atom catalysts combine the advantages of homogeneous and heterogeneous catalysis. Researchers led by Prof. K. Exner have now shown that such structures can also be formed electrochemically – independently and without noble metals. They are highly selective and can be easily separated from the reaction mixture.

Prot. Sci.: Joint publication RESOLV members Prof. P. Petersen and Dr. A. V. Verde. Proteins of obligate halophilic organisms have an unusually high number of acidic amino acids, thought to enable them to function in multimolar KCl environments. Clarifying the molecular scale mechanisms by which this occurs is relevant for biotechnology, to enable enzymatic synthesis of economically important…