SUPPLEMENTARY MATERIAL
收藏DataCite Commons2025-06-05 更新2025-06-14 收录
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https://aip.figshare.com/articles/dataset/SUPPLEMENTARY_MATERIAL/29103587/1
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资源简介：
The low-energy isomers of Ir2B6-10 clusters and their vibrational spectra, bond lengths and MAE of Ir2B8 with charge injection, test of U values, AdNDP analysis for Ir2B8, the revolution of energy and magnetic moments of Ir2B8 against time during 5-ps AIMD simulations at 300, 500, and 700 K, molecular orbitals of Ir2B8 without SOC, views of Ir2B8@CNT(9,9) and Ir2B8@CNT(12,0), details of Ir2B8⊥BN.
提供机构：
AIP Publishing
创建时间：
2025-06-05
