Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo
- Award ID(s):
- 1954791
- PAR ID:
- 10223202
- Date Published:
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 16
- Issue:
- 5
- ISSN:
- 1549-9618
- Page Range / eLocation ID:
- 3041 to 3054
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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