| 高分辨核磁共振谱计算机解析方法 |
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| 引用本文： | 李谒冰,许小平.高分辨核磁共振谱计算机解析方法[J].波谱学杂志,1985,2(3):211-225. |
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| 作者姓名： | 李谒冰 许小平 |
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| 作者单位： | 浙江大学 |
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| 摘 要： | 本文应用哈密顿矩阵范数逼近方法,利用计算机计算了三自旋、四自旋系统高分辨核磁共振谱的化学位移和偶合常数。与一般迭代程序相比,简化了计算过程,提高了计算精度,并保证了解的唯一性。选择实验能级值作为哈密顿矩阵零级近似,避免了选取初始δ,J值的麻烦。本方法在图谱定量分析中取得了较好效果。
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| 收稿时间： | 1985-03-05 |
THE COMPUTOR ANALYSIS METHOD FOR HIGH-RESOLUTION NMR SPECTRA |
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| Li Yebing,Xu Xiaoping.THE COMPUTOR ANALYSIS METHOD FOR HIGH-RESOLUTION NMR SPECTRA[J].Chinese Journal of Magnetic Resonance,1985,2(3):211-225. |
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| Authors: | Li Yebing Xu Xiaoping |
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| Institution: | Zhe Jiang University |
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| Abstract: | The chemical shifts and the spin-spin coupling constants of high-resolution NMR spectra of some three-, four-spin cases are caculated by using the trial-and-error method of the Euclidean Norm of Hamiltonian matrix. In this method., the experimental energy levels are used as the zero-order approximation of the Hamiltonian matrix so that the trouble of selecting primary chemical shifts and spin-spin coupling constants is avoided and only one resolution can be obtained |
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