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Updated: Jul 2, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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对于强度相关的系统,重新规范的基于残留的多引用配置交互方法

Yifan Cheng1, Haibo Ma2

  • 1School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, Jiangsu 210023, China.

Journal of chemical theory and computation
|February 21, 2024
PubMed
概括

我们开发了一种旋转适应的基于renormalized-residue的多引用配置交互 (RR-MRCI) 方法. 这种方法有效地捕捉了轨道纠,提高了对大型量子系统的准确性和适用性.

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