HCN tetramerization on forsterite surfaces
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资源简介：
This dataset contains all the structures involved in the tetramerization of HCN on the (120) forsterite surface, as described in Bancone at al. 2025. Gas-phase structures, together with those of adsorbed reacting species are reported with and without the presence of water molecules (see paper). All the structures are optimized at the PBEsol-D3 level of theory.
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Zenodo创建时间：
2025-05-28
