Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics
- Award ID(s):
- 1704266
- Publication Date:
- NSF-PAR ID:
- 10057794
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 13
- Issue:
- 11
- Page Range or eLocation-ID:
- 5443 to 5457
- ISSN:
- 1549-9618
- Sponsoring Org:
- National Science Foundation
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Accepted Manuscript1.0
- Publisher's Version of Record
- https://doi.org/10.1021/acs.jctc.7b00848
