Search alternatives:
marked decrease » marked increase (Expand Search)
learning small » learning scale (Expand Search), learning mmal (Expand Search), learning skills (Expand Search)
small decrease » small increased (Expand Search)
marked decrease » marked increase (Expand Search)
learning small » learning scale (Expand Search), learning mmal (Expand Search), learning skills (Expand Search)
small decrease » small increased (Expand Search)
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Predicting Dinitrogen Activation and Coupling with Carbon Dioxide and Other Small Molecules by Methyleneborane: A Combined DFT and Machine Learning Study
Published 2025“…Here, we predict through density functional theory calculations that the coupling of dinitrogen with carbon dioxide by methyleneborane becomes favorable both thermodynamically and kinetically. Machine learning analysis suggests that increasing the HOMO–LUMO gap or the charge on the boron atom or decreasing the charge of the nitrogen atom will reduce the reaction energies. …”
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Relationship between ordinal regression and binary classification performance.
Published 2025Subjects: -
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