g-xTB in QCxMS #93
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g-xTB in QCxMS
#93
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Are there ways to use g-xTB within QCxMS, or does it require additional code? Thank you!
Paper:
https://chemrxiv.org/engage/chemrxiv/article-details/685434533ba0887c335fc974
Code:
https://github.com/grimme-lab/g-xtb
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