Computational 1 H NMR: Part 2. Chemical applications,Magnetic Resonance in Chemistry

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Computational 1 H NMR: Part 2. Chemical applications
Magnetic Resonance in Chemistry ( IF 1.9 ) Pub Date : 2019-06-27 , DOI: 10.1002/mrc.4896
Leonid B Krivdin _{1,

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Affiliation

This is the second one of three closely interrelated reviews dealing with computation of 1H NMR chemical shifts and 1H–1H spin–spin coupling constants prepared for Magnetic Resonance in Chemistry. Presented in this review are some basic notes and illustrative examples of how modern computational 1H NMR could be used for structural elucidation and stereoelectronic studies of the medium‐sized organic molecules involving saturated, unsaturated, aromatic, and heteroaromatic compounds together with their functional derivatives and coordination complexes to get deeper insight into their stereochemical structure and stereodynamic behavior.

中文翻译：

计算 1 H NMR：第 2 部分。化学应用

这是三篇密切相关的评论中的第二篇，涉及为化学磁共振准备的 1H NMR 化学位移和 1H-1H 自旋耦合常数的计算。本综述介绍了现代计算 1H NMR 如何用于中等大小有机分子的结构解析和立体电子研究的一些基本说明和说明性示例，涉及饱和、不饱和、芳香族和杂芳香族化合物及其功能衍生物和配位以更深入地了解它们的立体化学结构和立体动力学行为。

更新日期：2019-06-27

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