Graphene Oxide Nanoflake Archetypes and Prototypes
收藏DataCite Commons2020-07-29 更新2025-04-09 收录
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https://data.csiro.au/collections/#collection/CIcsiro:40408v1/DItrue
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资源简介：
The collection contains the atomic coordinates of the best matching graphene oxide nanoflakes to the 25 archetypes identified using archetypal analysis, and 3 prototypes identified using iterative label spreading clustering analysis, each using an ensemble data set of 20386 unique samples defined by 830 topological features, generated by relaxing each configuration at the electronic structure level with density functional tight binding.
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CSIRO创建时间：
2019-06-26
