Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating Orbitals
- Award ID(s):
- 1764186
- PAR ID:
- 10168428
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry A
- Volume:
- 123
- Issue:
- 45
- ISSN:
- 1089-5639
- Page Range / eLocation ID:
- 9809 to 9817
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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