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Manuscript title: Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion
Metadata:
Title: | /GeomOpt_PBEPBE_GD3MBJ Ru10_9A |
Authors: | Foscato, Marco Giovanni, Occhipinti Sondre H., Hopen Eliasson Vidar R., Jensen |
Keywords: | Ligand design Ruthenium Metathesis Carbene ligands Olefin metathesis |
Issue Date: | 6-Oct-2023 |
Publisher: | University of Bergen (Norway) |
Description: | gas phase geometry optimization + frequencies |
URI: | https://iochem-bd.bsc.es/browse/handle/100/312031 |
Appears in Collections: | RuC_design - DOI: 10.19061/iochem-bd-6-292 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312031