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Updated: Jan 14, 2026

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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一个计算研究的NMR化学转移的多尼特罗皮拉醇

Arturo Alcorta1, Rosa M Claramunt2, José Elguero3

  • 1Escuela Politécnica Superior, Universidad Autónoma de Madrid, Madrid, Spain.

Magnetic resonance in chemistry : MRC
|October 21, 2025
PubMed
概括

计算化学方法可以准确地预测核磁共振 (NMR) 对酸的化学转移. 开发了一种新的经验方程,以提高基组中氧原子的精度.

关键词:
17O NMR 的 NMR 的 17O.GIAO/B3LYP/6311++G ((d,p) 的意思是说,这是一个很大的问题.氨基和的分子内键.化-1H-pyrazoles 的使用方法固态NMR的影响.

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