Adsorption of H2O on TiO2

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Task

In this example you will determine the transition state in the flipping of NH3 by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer Method.

Download

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

h2o_on_tio2.tgz

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