Dataset for "Understanding the Role of Zr-MOF Supports on Templated Ternary CO2 Hydrogenation Catalyst Structure and Activity"
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下载链接：
https://zenodo.org/record/14607190
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资源简介：
Supporting dataset for: “Understanding the Role of Zr-MOF Supports on Templated Ternary CO2 Hydrogenation Catalyst Structure and Activity", Jack D. Evans and coworkers, 2024
Contains (in a zipped directory):
decomp-simulations: input files, output files from CREST simulations for the different ligands
code: python notebook for plotting important decomposition events from the dynamics trajectories
创建时间：
2025-01-07
