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Updated: Jul 17, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

Published on: July 27, 2022

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在形状空间上复制反应路线图,通过完整的核转换-反转组从其系数复制反应路线图

Hiroshi Teramoto1, Takuya Saito2,3, Masamitsu Aoki2

  • 1Faculty of Engineering Science, Kansai University, Suita 564-8680, Japan.

Journal of chemical theory and computation
|August 29, 2023
PubMed
概括

这项研究引入了一种新的算法,用于从潜在能量表面数据生成反应路线图 (RRMs). 适用于没有编码的复杂分子,它增强了化学反应路径分析.

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