Results 41 to 50 of about 38,196 (252)
On the Ability of Bismuth to Couple Weakly Coordinating Anions
Angewandte Chemie, EarlyView.Motivated by the growing number of catalytic processes based on high‐valent Bi, we investigated in silico the reductive elimination step responsible for the coupling of weakly coordinating anions. Relativistic contributions appeared to be decisive to the electronic description of the intermediates involved in this process.
Lucas Mele +3 more
wiley +2 more sources
Aktuelle deutsche Plakatwerbung in kultureller Sicht - eine Bestandsaufnahme
Journal of Linguistics and Language Teaching, 2019 (Deutsch) In dem vorliegenden Artikel wird die aktuelle deutsche Plakat- und Anzeigenwerbung mit Bezug auf kulturelle Gesichtspunkte und auf Text-Bild-Bezüge untersucht.
Thomas Tinnefeld
doaj
Cost Pass‐Through in Crisis: Evidence From the German Malt‐Beer Supply Chain
Agribusiness, EarlyView.Abstract Global agri‐food supply chains are increasingly exposed to geopolitical shocks, climate volatility, and market consolidation, factors that disrupt traditional price relationships and reshape market power dynamics. Nowhere is this more visible than in the brewing sector, where agricultural raw materials meet complex industrial processing and ...
Nikolas Bublik, Lukáš Čechura
wiley +1 more source
Adeno‐associated virus serotype 2 capsid variants for improved liver‐directed gene therapy
Hepatology, EarlyView., 2022 Abstract Background and Aims Current liver‐directed gene therapies look for adeno‐associated virus (AAV) vectors with improved efficacy. With this background, capsid engineering is explored. Whereas shuffled capsid library screenings have resulted in potent liver targeting variants with one first vector in human clinical trials, modifying natural ...
Nadja Meumann +25 more
wiley +1 more source
Better force fields start with better data: A data set of cation dipeptide interactions
Scientific Data, 2022 Measurement(s) Some Energy • Charge • Electrostatic Potential • Electron Density • Conformational Search Technology Type(s) Computational Chemistry • Computational Chemistry Statistics • Multi-Stage Sampling Sample Characteristic - Organism Amino Acid ...
Xiaojuan Hu +2 more
doaj +1 more source
Advanced Intelligent Discovery, EarlyView.We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob +2 more
wiley +1 more source
, 2012 Source: Hugo von Hofmannsthal: Gesammelte Werke. Erste Reihe in drei Bänden, Berlin: S. Fischer, 1924.
+9 more sources
The solvation shell probed by resonant intermolecular Coulombic decay
Nature CommunicationsMolecules involved in solvation shells have properties differing from those of the bulk solvent, which can in turn affect reactivity. Among key properties of these molecules are their nature and electronic structure.
Rémi Dupuy +8 more
doaj +1 more source
Co-expression of cell wall related genes: new tools and insights
Frontiers in Plant Science, 2012 Global transcript analyses based on publicly available microarray dataset have revealed that genes with similar function tend to be transcriptionally coordinated.
Colin eRuprecht, Staffan ePersson
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