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Capturing Weak Interactions in Surface Adsorbate Systems at Coupled Cluster Accuracy: A Graph-Theoretic Molecular Fragmentation Approach Improved through Machine Learning
- Award ID(s):
- 2102610
- NSF-PAR ID:
- 10497143
- Publisher / Repository:
- ACS Publications
- Date Published:
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 19
- Issue:
- 23
- ISSN:
- 1549-9618
- Page Range / eLocation ID:
- 8541 to 8556
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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