Fullerene Dataset for paper "Extrapolating Beyond C60: Advancing Prediction of Fullerene Isomers with FullereneNet"
收藏Figshare2025-08-19 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Fullerene_Dataset_for_paper_Extrapolating_Beyond_C60_Advancing_Prediction_of_Fullerene_Isomers_with_FullereneNet_/29242307
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资源简介：
Here are DFT optimized fullerene range from C20-C100, and unoptimized structure range from C20-C720.
创建时间：
2025-08-19
