Formation of Methanol via Fischer-Tropsch Catalysis by Cosmic Iron Sulphide
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This supporting material contains: Cartesian coordinates of the PBE optimized minima and transition states for the reactions under study, in XYZ format. Inputs for the CP2K package. Vibrational calculations with all the frequencies. Kinetic data (RRKM).
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Zenodo创建时间：
2024-03-11
