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 ef...

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Veröffentlicht in:	Chemical science (Cambridge) 2020-05, Vol.11 (18), p.4584-461
Hauptverfasser:	Friederich, Pascal, dos Passos Gomes, Gabriel, De Bin, Riccardo, Aspuru-Guzik, Alán, Balcells, David
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry
Online-Zugang:	Volltext
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