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Importance Sampling within Configuration Space Integration for Adsorbate Thermophysical Properties: A Case Study for CH3/Ni(111) A new strategy is presented for computing anharmonic partition functions for the motion of adsorbates relative to a catalytic surface. Importance sampling is compared with conventional Monte Carlo. The importance sampling is significantly more efficient. This new approach is applied to CH3 on Ni(111) as a test case.
As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.
