https://www.selleckchem.com/pr....oducts/iacs-13909.ht
The challenge of evaluating catalyst surface-molecular adsorbate interactions holds the key for rational design of catalysts. Finding an experimentally measurable and theoretically computable descriptor for evaluating surface-adsorbate interactions is a significant step toward achieving this goal. Here we show that the electric dipole moment can serve as a convenient yet accurate descriptor for establishing structure-property relationships for molecular adsorbates on metal catalyst surfaces. By training a machine learning neural netw
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