Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
- Award ID(s):
- 1954348
- PAR ID:
- 10431289
- Date Published:
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 19
- Issue:
- 13
- ISSN:
- 1549-9618
- Page Range / eLocation ID:
- 3839 to 3848
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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