Angew. Chem. Int. Ed.: Two RESOLV research groups, led by Prof. Hansmann and Prof. Kasanmascheff, published their findings on a new class of diradicals.
JACS: Two RESOLV research groups, led by Dr. J. Cornella and Prof. F. Neese, published new findings on the excited state dynamics of N,C,N-Pincer Bismuthinidene and the mechanism of oxidative addition into aryl iodides.
J. Phys. Chem. C.: Joint publication RESOLV members Prof. U. Bovensiepen and Prof. K. Morgenstern. Analysis of electron transfer dynamics across heterogeneous interfaces in real time is important for the fundamental understanding of the involved microscopic processes, which are relevant in energy conversion applications. Our goal is to analyze the elementary steps at an alkali-metal interface in…
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…
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.
