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Manuscript title: Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion
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| Title: | /GeomOpt_OLYP_SP_B3LYP Ru9_21_PR2 |
| 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: | geometry optimization followed by single point energy |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/311969 |
| Appears in Collections: | RuC_design - DOI: 10.19061/iochem-bd-6-292 |
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