Supplementary data (CC BY-NC-SA 4.0): Migration of Zeolite-Encapsulated Subnanometre Platinum Clusters via Reactive Neural Network Potentials
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Content (Creative Commons Attribution Non Commercial Share Alike 4.0 International): Trajectory files containing structures, energies and forces of CHA, MWW (including MWW*), TON, MFI (Pt1, Pt3, Pt5 at 750, 1000, 1250 K) as (extended) xyz files readable by the Atomic Simulation Environment (ASE) Animated gif files of Pt1 migration between double-six rings in CHA, Pt3 jump through an eight-ring in CHA, and insertion of Pt1 into a t-pen unit in MFI Neural Network Potential (NNP) files readable by SchNetPack version 1.0
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Zenodo创建时间:
2023-12-18



