Liliana-Gallegos
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README.md
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@@ -27,7 +27,7 @@ If you use this data, please cite:
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```bibtex
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@article{baumer-gallegos2025prism,
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title={
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author={Baumer, Mitchell; Gallegos, Liliana C.; Anstine, Dylan M.; Kubaney, Andrew; Regio, Jose Emilio A.; Isayev, Olexander; Bernhard, Stefan; Gomes, Gabe},
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journal={In preparation},
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year={2025},
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```bibtex
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@article{baumer-gallegos2025prism,
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title={Democratizing Reaction Kinetics through Machine Vision and Learning},
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author={Baumer, Mitchell; Gallegos, Liliana C.; Anstine, Dylan M.; Kubaney, Andrew; Regio, Jose Emilio A.; Isayev, Olexander; Bernhard, Stefan; Gomes, Gabe},
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journal={In preparation},
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year={2025},
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qm_calculations/README.md
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└── ts/ # Transition state structures (31 files)
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```
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## Citation
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If you use this dataset in your research, please cite:
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```bibtex
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@article{baumer-gallegos2025prism,
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title={PRISM (Parallelized Reaction-rates via Indicator Spectrometry using Machine-vision) and Machine Learning Modeling of Amide Coupling Reaction},
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author={Baumer, Mitchell; Gallegos, Liliana C.; Anstine, Dylan M.; Kubaney, Andrew; Regio, Jose Emilio A.; Isayev, Olexander; Bernhard, Stefan; Gomes, Gabe},
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journal={In preparation},
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year={2025}
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}
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```
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└── ts/ # Transition state structures (31 files)
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```
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