exercises:2017_ethz_mmm:qmmm
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| exercises:2017_ethz_mmm:qmmm [2017/06/02 01:40] – created dpasserone | exercises:2017_ethz_mmm:qmmm [2017/06/02 02:26] – dpasserone | ||
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| ====== Validation of a KCl QMMM model ====== | ====== Validation of a KCl QMMM model ====== | ||
| + | ==(exercise by Matthew Watkins, University college, London) == | ||
| In this exercise you will compute the adsorption energy of acetylene on a intermetallic catalyst. | In this exercise you will compute the adsorption energy of acetylene on a intermetallic catalyst. | ||
| This process is important during the production of polyethylene, | This process is important during the production of polyethylene, | ||
exercises/2017_ethz_mmm/qmmm.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1