Supporting data - Effects of the cooperative interaction on the diffusion of hydrogen on MgO(100)

Ivano Eligio Castelli, Stefan Gabriel Soriga & Isabela Costinela Man
This dataset is the supporting data for the manuscript "Effects of the cooperative interaction on the diffusion of hydrogen on MgO(100)", I.E. Castelli, Stefan G. Soriga, Isabela C. Man, J. Chem. Phys. 49, 034704 (2018). In the manuscript, we have investigated the role of pre-adsorbed fragments on H diffusion on MgO(100).

The data set contains all the relaxed structures and Nudged Elastic Bands (NEB) calculations in xyz and traj (Atomic Simulation Environment - ASE) format. Each...
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