most citedHighly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning

1 citations · 1 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2023★ 1 cited

Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning

Jie Li, Jiashu Liang, Zhe Wang +5

Theoretical predictions of NMR chemical shifts from first-principles can greatly facilitate experimental interpretation and structure identification. However, accurate prediction o…