William Sean Ohlinger

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Theoretical quantum chemistry
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Publications (1)

|Aug 05, 2025
Practical Machine Learning Strategies 4: Using Neural Networks to Replicate Proton and 13C NMR Chemical Shifts Obtained from ωB97X-D/6-31G* Density Functional Calculations.

Thomas Hehre, Philip E Klunzinger, Bernard J Deppmeier

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