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Adsorption of H2O on TiO2

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Task

In this example you will investigate the adsorption of H2O on a TiO2 surface by means of standard geometry optimisation ("relaxation") and by means of constrained molecular dynamics.

Download

Adsorption of H2 on TiO2: A guide to this example.

h2o_on_tio2.tgz

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