Surface adsorption at the thermodynamic limit using periodic DLPNO-MP2 theory: A study of CO on MgO at dilute and dense coverages
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arXiv
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| Main Authors: | Zhu, Andrew, Komonvasee, Poramas, Nejad, Arman, Tew, David P. |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Online Access: | |
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