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Updated: Jul 6, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

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超磁核磁共振转移三重系统和超越与现代相对论密度的功能方法

Yannick J Franzke1, Florian Bruder1, Sebastian Gillhuber2

  • 1Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße 4, 35032 Marburg, Germany.

The journal of physical chemistry. A
|January 9, 2024
PubMed
概括

这项研究提供了一个有效的框架,用于计算偏磁性NMR (pNMR) 转移,使用精确的二元 (X2C) 理论和密度函数理论 (DFT). 对于过渡金属复合体,X2C-DFT方法提供了良好的结果,特别是在具有很大的超精密合常量的情况下.

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