Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from gold
Supramolecular catalytic assemblies attract enormous interest due to their activity that rivals natural enzymes. Using ab initio molecular dynamics, the authors show that a gold catalyst in a Ga4L612- nanocage, while impeded by reorganization energy, is accelerated by hosting a catalytic water molec...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-01-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-14251-6 |