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This paper investigated the interaction of the "Vendeholt" molecule with a reactive surface utilizing the United-Atom Dipole (UPD) model. The results highlight the critical role of polarization in surface chemistry simulations.

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The UPD model yields a binding energy that is approximately 45% stronger. This discrepancy is attributed to the induced dipole interaction, where the electron cloud of the Vendeholt molecule is polarized by the surface ions, creating an additional attractive force (induction energy).

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