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rashatwi committed Sep 10, 2023
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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 7bbc3d3bc08806c221d2dd62778da199
tags: 645f666f9bcd5a90fca523b33c5a78b7
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@article{atwi2022automated,
title={An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions},
author={Atwi, Rasha and Chen, Ying and Han, Kee Sung and Mueller, Karl T and Murugesan, Vijayakumar and Rajput, Nav Nidhi},
journal={Nature Computational Science},
volume={2},
number={2},
pages={112--122},
year={2022},
publisher={Nature Publishing Group}
}
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@article{atwi2022mispr,
title={MISPR: An automated infrastructure for high-throughput DFT and MD simulations},
author={Atwi, Rasha and Bliss, Matthew and Makeev, Maxim and Rajput, Nav Nidhi},
year={2022}
}
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