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Combined DFT and BS study on the exchange coupling of dinuclear sandwich-type POM: comparison of different functionals and reliability of structure modeling 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 页码: 2271-2278
作者:  Yin, Bing;  Xue, GangLin;  Li, Jian;  Bai, Lu;  Huang, YuanHe
收藏  |  浏览/下载:13/0  |  提交时间:2018/07/05
The magnetic coupling in manganese-based dinuclear superhalogens and their analogues. A theoretical characterization from a combined DFT and BS study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 卷号: 14, 页码: 1121-1130
作者:  Yin, Bing;  Li, Jianli;  Bai, Hongcun;  Wen, Zhenyi;  Jiang, Zhenyi
收藏  |  浏览/下载:12/0  |  提交时间:2018/07/04


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