High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions
Measurement(s) Barrier Heights • Enthalpies • Rate Coefficients Technology Type(s) ab initio quantum chemistry computational method
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-07-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-022-01529-6 |