"Calculating 13C NMR chemical shifts of large molecules using ..."

Zhipeng Ke, Jingwei Weng, Xin Xu (2023)

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DOI: 10.1002/JCC.27201

access: closed

type: Journal Article

metadata version: 2023-10-18

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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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