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Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex

Homogeneous catalysis using transition metal complexes is ubiquitously used for organic synthesis, as well as technologically relevant in applications such as water splitting and CO(2) reduction. The key steps underlying homogeneous catalysis require a specific combination of electronic and steric e...

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Vydáno v:Chem Sci
Hlavní autoři: Friederich, Pascal, dos Passos Gomes, Gabriel, De Bin, Riccardo, Aspuru-Guzik, Alán, Balcells, David
Médium: Artigo
Jazyk:Inglês
Vydáno: Royal Society of Chemistry 2020
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7659707/
https://ncbi.nlm.nih.gov/pubmed/33224459
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc00445f
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