Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
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| Description | scientific article published on 11 September 2019 |
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author: Junming Ho Yihan Shao Ye Mei Xiaoliang Pan |
| Publication date | September 11, 2019 |
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