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"Calculating 13C NMR chemical shifts of large molecules using ..."
Zhipeng Ke, Jingwei Weng, Xin Xu (2023)
- Zhipeng Ke, Jingwei Weng, Xin Xu:
Calculating 13C NMR chemical shifts of large molecules using the eXtended ONIOM method at high accuracy with a low cost. J. Comput. Chem. 44(30): 2347-2357 (2023)
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