Development of a 13C NMR Chemical Shift Prediction Procedure Using B3LYP/cc-pVDZ and Empirically Derived Systematic Error Correction Terms: A Computational Small Molecule Structure Elucidation Method | The Journal of Organic Chemistry
Proton and deuterium chemical shifts (ppm) from internal TMS and... | Download Table
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13 C NMR chemical shifts (δ, ppm) of monosubstituted pyridines a . | Download Table
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Real-time prediction of 1 H and 13 C chemical shifts with DFT accuracy using a 3D graph neural network - Chemical Science (RSC Publishing) DOI:10.1039/D1SC03343C
General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT | Journal of Chemical Information and Modeling
Chemical Shift Value - an overview | ScienceDirect Topics
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Chemical shifts in molecular solids by machine learning | Nature Communications
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Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method - Physical Chemistry Chemical Physics (RSC Publishing)
SciELO - Brasil - Computer-aided prediction of 125Te and 13C NMR chemical shifts of diorgano tellurides Computer-aided prediction of 125Te and 13C NMR chemical shifts of diorgano tellurides
Chemical shift prediction RMS errors (ppm) for different prediction... | Download Table
Summary of the 13 C NMR chemical shifts δ (ppm) for DDoS | Download Table
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