Data for: "A Modelling Study in Harnessing Metal-Organic Frameworks for Challenging Gas Separations"
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https://pure.strath.ac.uk/portal/en/datasets/data-for-a-modelling-study-in-harnessing-metalorganic-frameworks-for-challenging-gas-separations(7ccee1d1-2903-4502-b1df-4cdaf9af81d6).html
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资源简介：
All datasets for PhD Thesis.
This contains all the data inputs for DFT calculations for CUS adsorption, as well as all GCMC simulation inputs and outputs. This total file number is 27000,
The files are organised as shown in chapters within the thesis.
A two year moratorium has been applied to the data
提供机构：
University of Strathclyde
创建时间：
2018-03-19
