Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic Descriptors
- Award ID(s):
- 2102583
- PAR ID:
- 10414641
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry A
- Volume:
- 127
- Issue:
- 15
- ISSN:
- 1089-5639
- Page Range / eLocation ID:
- 3472 to 3483
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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