Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology
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| Description | scientific article published on 03 January 2022 |
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author: Frauke Gräter Van Quan Vuong Tomáš Kubař Marcus Elstner Stephan Irle |
| Publication date | January 3, 2022 |
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