Use of local alignment tensors for the determination of relative configurations in organic compounds.
Use of local alignment tensors for the determination of relative configurations in organic compounds.
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DOI：
10.1021/ja904536b
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发表时间：
2009-08
影响因子：
15
通讯作者：
C. Thiele;A. Maliniak;Baltzar Stevensson
中科院分区：
文献类型：
--
作者：
C. Thiele;A. Maliniak;Baltzar Stevensson
在这个原理证明中，演示了使用局部对齐张量来确定适度柔性分子的相对构型。这些张量源自残余偶极耦合。还提出了两种分析刚性分子片段中部分线性相关 RDC 的方法。
In this proof of principle the use of local alignment tensors for the determination of relative configurations in moderately flexible molecules is demonstrated. These tensors are derived from residual dipolar couplings. Two methods for the analysis of partly linearly dependent RDCs in a rigid molecular fragment are also presented.