Juli 24, 2024 In Unkategorisiert
OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion
Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00099D, Paper
DOI: 10.1039/D4DD00099D, Paper
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François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel N. Schmidt, Arghya Bhowmik
Organometallic complexes are ubiquitous in homogeneous catalysis and other technological applications. Optimization of such complexes for specific applications is challenging due to the large variety of possible metal-ligand combinations and…
The content of this RSS Feed (c) The Royal Society of Chemistry
Organometallic complexes are ubiquitous in homogeneous catalysis and other technological applications. Optimization of such complexes for specific applications is challenging due to the large variety of possible metal-ligand combinations and…
The content of this RSS Feed (c) The Royal Society of Chemistry
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