Practical Machine Learning Strategies. 2. Accurate Prediction of ωB97X‐V/6‐311+G(2df,2p), ωB97M‐V/6‐311+G(2df,2p) and ωB97M(2)/6‐311+G(2df,2p) Energies From Neural Networks Trained From ωB97X‐D/6‐31G* Equilibrium Geometries and Energies

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Bibliographic Details
Main Authors: Philip Klunzinger, Thomas Hehre, Bernard Deppmeier, William Ohlinger, Warren Hehre
Format: Artículo Open Access
Published: Wiley 2025
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