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A paramedic treatment for modeling explicitly solvated chemical reaction mechanisms
A static QM procedure for modeling solvated reaction mechanisms is calibrated using the Morita–Baylis–Hillman reaction.
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- Award ID(s):
- 1653392
- PAR ID:
- 10059340
- Publisher / Repository:
- Royal Society of Chemistry (RSC)
- Date Published:
- Journal Name:
- Chemical Science
- Volume:
- 9
- Issue:
- 24
- ISSN:
- 2041-6520
- Page Range / eLocation ID:
- 5341 to 5346
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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