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The Best DFT Functional for the Prediction of 1H and 13C Chemical Shifts of Protonated Alkylpyrroles
The Best DFT Functional for the Prediction of 1H and 13C Chemical Shifts of Protonated Alkylpyrroles
2021
Sarah L. V. Zahn
Ole Hammerich
Poul Erik Hansen
Stephan P. A. Sauer
Keywords:
Computational chemistry
Chemical shift
Protonation
Chemistry
Correction
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