HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level <i>ab initio</i> calculations
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| Description | scientific article published on 27 November 2021 |
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author: Adam Kubas Weiwei Xie Orestis G. Ziogos Jochen Blumberger |
| Publication date | November 27, 2021 |
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