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Updated: Jun 28, 2025

Preparation of Biomass-based Mesoporous Carbon with Higher Nitrogen-/Oxygen-chelating Adsorption for CuII Through Microwave Pre-Pyrolysis
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Preparation of Biomass-based Mesoporous Carbon with Higher Nitrogen-/Oxygen-chelating Adsorption for CuII Through Microwave Pre-Pyrolysis

Published on: February 12, 2019

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对仿生[Cu-O-Cu]2+介导的甲转化为甲醇的建模揭示了甲激活地点

Sumangla Arora1, Puneet Gupta1,2

  • 1Computational Catalysis Center, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.

Chemistry, an Asian journal
|April 17, 2024
PubMed
概括

这项研究通过计算检查了生物模拟铜-氧-铜芯的甲-甲醇转化. 用不同的金属修改核心会改变反应性,由于对C-H键激活的最佳自旋密度,银表现出最高的活性.

关键词:
在Cu−O−Cu Cu−Cu扭曲-相互作用分析转移原子转移原子的时间内在的结合轨道分析.甲激活激活的方法旋转密度分析的分析

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