Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks

Research article (Journal of Chemical Theory and Computation, 2024) · cited 20× · AI/ML
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Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks

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Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks is a scholarly article[1].

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APA 4ort.xyz Knowledge Graph. (2026). Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks. Retrieved May 24, 2026, from https://4ort.xyz/entity/accurate-prediction-of-nmr-chemical-shifts-integrating-dft-calculations-with-three-dimensional-graph-neural-networks
MLA “Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks.” 4ort.xyz Knowledge Graph, 4ort.xyz, 24 May. 2026, https://4ort.xyz/entity/accurate-prediction-of-nmr-chemical-shifts-integrating-dft-calculations-with-three-dimensional-graph-neural-networks.
BibTeX @misc{4ortxyz_accurate-prediction-of-nmr-chemical-shifts-integrating-dft-calculations-with-three-dimensional-graph-neural-networks_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks}}, year = {2026}, url = {https://4ort.xyz/entity/accurate-prediction-of-nmr-chemical-shifts-integrating-dft-calculations-with-three-dimensional-graph-neural-networks}, note = {Accessed: 2026-05-24}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks — https://4ort.xyz/entity/accurate-prediction-of-nmr-chemical-shifts-integrating-dft-calculations-with-three-dimensional-graph-neural-networks (retrieved 2026-05-24)

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