计算 NMR：第 3 部分。生物化学研究。
Computational H NMR: Part 3. Biochemical studies.
机构信息
A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
Department of Chemistry, Angarsk State Technical University, Angarsk, Russia.
出版信息
Magn Reson Chem. 2020 Jan;58(1):15-30. doi: 10.1002/mrc.4895. Epub 2019 Jul 10.
This is the third and the last part of three closely interrelated reviews dealing with computation of H nuclear magnetic resonance chemical shifts and H- H spin-spin coupling constants. Present review deals with the computation of these parameters in biologically active natural products, carbohydrates, and other molecules of biological origin focusing on stereochemical applications of computational H nuclear magnetic resonance to these objects.
这是三篇紧密相关的综述的第三篇，也是最后一篇，内容涉及 H 核磁共振化学位移和 H-H 自旋-自旋耦合常数的计算。本篇综述主要讨论计算生物活性天然产物、碳水化合物和其他生物来源分子中这些参数的方法，重点介绍计算 H 核磁共振在这些客体中的立体化学应用。
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