Browsing Faculty of Mathematics and Natural Sciences by Journals "ACS Catalysis"
Now showing items 1-3 of 3
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Automated in Silico Design of Homogeneous Catalysts
(Peer reviewed; Journal article, 2020)Catalyst discovery is increasingly relying on computational chemistry, and many of the computational tools are currently being automated. The state of this automation and the degree to which it may contribute to speeding ... -
Challenging Metathesis Catalysts with Nucleophiles and Brønsted Base: Examining the Stability of State-of-the-Art Ruthenium Carbene Catalysts to Attack by Amines
(Journal article; Peer reviewed, 2020)Critical to advancing the uptake of olefin metathesis in leadingcontexts, including pharmaceutical manufacturing, is identification of highlyactive catalysts that resist decomposition. Amines constitute an aggressivechallenge ... -
Ethylene-Triggered Formation of Ruthenium Alkylidene from Decomposed Catalyst
(Journal article; Peer reviewed, 2020)Ethylene is known to readily decompose ruthenium-based olefin metathesis catalysts, such as Grubbs second-generation catalyst (GII), by forming the unsubstituted ruthenacyclobutane (Ru-2) that may undergo a 1,2-H shift and ...