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Updated: Sep 8, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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将双混合函数与rSCAN相结合,可以获得固态C化学转移,精度低于ppm

Harry Brough1, Chris W Cook1,2, John M Griffin1

  • 1Department of Chemistry, Lancaster University, Lancaster, LA1 4YB, UK. m.peach@lancaster.ac.uk.

Physical chemistry chemical physics : PCCP
|July 15, 2025
PubMed
概括

当与单体正相结合时,rSCAN功能改善了NMR屏蔽计算,特别是当使用像mPW2PLYP-CPCM这样的双混合功能来提高NMR结晶学中的精度时.

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