Toward in silico Catalyst Optimization
In this minireview, we overview a computational pipeline developed within the framework of NCCR Catalysis that can be used to successfully reproduce the enantiomeric ratios of homogeneous catalytic reactions. At the core of this pipeline is the SCINE Molassembler module, a graph-based software that...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
2023-03-01
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| Series: | CHIMIA |
| Subjects: | |
| Online Access: | https://chimia.ch/chimia/article/view/6270 |