Recent advances in computational 31 P NMR: Part 1. Chemical shifts,Magnetic Resonance in Chemistry

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Recent advances in computational 31 P NMR: Part 1. Chemical shifts
Magnetic Resonance in Chemistry ( IF 1.9 ) Pub Date : 2019-12-11 , DOI: 10.1002/mrc.4965
Leonid B Krivdin _{1,

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Affiliation

This is the first part of two closely related reviews dealing with the computation of phosphorus‐31 nuclear magnetic resonance chemical shifts in a wide series of organophosphorus compounds including complexes, clusters, and bioorganic phosphorus compounds. In particular, the analysis of the accuracy factors, such as substitution effects, solvent effects, vibrational corrections, and relativistic effects, is presented. This review is dedicated to the Full Member of the Russian Academy of Sciences Professor Boris A. Trofimov in view of his invaluable contribution to the field of synthesis, nuclear magnetic resonance, and computation studies of organophosphorus compounds.

中文翻译：

计算 31 P NMR 的最新进展：第 1 部分。化学位移

这是两个密切相关的评论的第一部分，这些评论涉及计算一系列广泛的有机磷化合物（包括配合物、簇和生物有机磷化合物）中的磷 31 核磁共振化学位移。特别是，介绍了精度因素的分析，例如替代效应、溶剂效应、振动校正和相对论效应。鉴于他在有机磷化合物的合成、核磁共振和计算研究领域做出的宝贵贡献，这篇评论献给俄罗斯科学院正式成员 Boris A. Trofimov 教授。

更新日期：2019-12-11

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