Locating Ab Initio Transition States via Approximate Geodesics on Machine Learned Potential Energy Surfaces
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arXiv
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| Main Authors: | Hait, Diptarka, Pabón, Jan D. Estrada, Stöhr, Martin, Martínez, Todd J. |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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