The selectivity for sulfur removal from oils: An insight from conceptual density functional theory

Li, Hongping; Zhu, Wenshuai; Zhu, Siwen; Xia, Jiexiang; Chang, Yonghui; Jiang, Wei; Zhang, Ming; Zhou, Yuwei; Li, Huaming

doi:10.1002/aic.15161

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The selectivity for sulfur removal from oils: An insight from conceptual density functional theory

Shared by NobleBlocks on Jan 28, 2016 • 12:00 AM UTC

Authors:

Hongping Li

Wenshuai Zhu

Siwen Zhu

Abstract

The selectivity for sulfur removal from oils is an important topic. In this work, the selectivity for different sulfur removal methods has been studied by conceptual density functional theory (CDFT) at the B3LYP/6‐311++G(3df,2p) level of theory. In principle, the selectivity is directly related to t...

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