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The field of predictive chemistry relates to the development of models able to describe how molecules interact and react. It encompasses the long-standing task of computer-aided retrosynthesis, but is far more reaching and ambitious in its goals. In this review, we summarize several areas where predictive chemistry models hold the potential to accelerate the deployment, development, and discovery of organic reactions and advance synthetic chemistry.
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This content will become publicly available on December 1, 2025
Reaction-driven restructuring of defective PtSe2 into ultrastable catalyst for the oxygen reduction reaction
- Award ID(s):
- 2011750
- PAR ID:
- 10585874
- Publisher / Repository:
- Nature Materials
- Date Published:
- Journal Name:
- Nature Materials
- Volume:
- 23
- Issue:
- 12
- ISSN:
- 1476-1122
- Page Range / eLocation ID:
- 1704 to 1711
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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