Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional
- Award ID(s):
- 1934846
- NSF-PAR ID:
- 10357959
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry C
- Volume:
- 125
- Issue:
- 33
- ISSN:
- 1932-7447
- Page Range / eLocation ID:
- 18187 to 18196
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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