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Updated: Jun 12, 2025

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
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A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy

Published on: January 30, 2019

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信息理论量作为密度函数理论中电友性和核友性的有效描述器

Jia Fu1, Meng Li1, Chunying Rong2

  • 1College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, Hunan, 410081, People's Republic of China.

Journal of molecular modeling
|September 17, 2024
PubMed
概括

这项研究验证了五个信息理论量作为分子电友性和核友性的可靠描述器. 这些发现提高了化学反应的可预测性,使用密度函数理论中的信息理论方法.

关键词:
密度函数理论密度函数理论电友性是一种电友性.信息理论的方法信息理论的方法.核爱性是一种核爱性.

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