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Updated: Jun 5, 2025

Determination of the Gas-phase Acidities of Oligopeptides
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在非水性溶剂中的pKa预测

Jonathan W Zheng1, Emad Al Ibrahim1, Ivari Kaljurand2

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA.

Journal of computational chemistry
|December 11, 2024
PubMed
概括

本研究提出了一种新方法,使用溶解能计算,准确预测各种非水性溶剂中的酸解离常数 (pKa). 该方法提供可靠的pKa预测,对于化学研究至关重要.

关键词:
在COSMO-RS中,它是最重要的.酸分离是指酸分离的过程.离子 离子 是一种离子.在pKa pKa pKa解决方法 解决方法

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