¹H NMR: Long-Range Coupling
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Yujuan Xie1,2, Bing Gu1,2
1Institute of Natural Sciences, Westlake Institute for Advanced Study, Hangzhou, Zhejiang 310024, China.
计算电子重叠矩阵在计算上很昂贵. 我们使用近邻重叠矩阵引入近似,显著降低计算成本,同时准确地建模非adiabatic圆交叉动态.
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