Linking DLS measurements with DFT calculations to understand surfactant interaction mechanisms
收藏DataCite Commons2026-03-20 更新2026-05-07 收录
下载链接：
https://bazawiedzy.upwr.edu.pl/info/researchdata/UPWRe7494f03db354090976417e5c01e6ee4/
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资源简介：
<p>
<span lang="EN-US">This
dataset provides physicochemical and computational data, including detailed DLS
quality parameters and calculated Mulliken charge distributions for LS, SDS,
and Tween 80. Additionally, reactivity descriptors in the form of Fukui indices,
together with Natural Population Charges derived from NBO analysis, are
presented for LS, SDS, and Tween 80, offering deeper insight into their
electronic structure and interaction potential.</span></p>
<p><br /></p>
提供机构：
Wroclaw University of Environmental and Life Sciences, Wrocław, Polska
创建时间：
2026-03-20
