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小分子激活由丝/细菌玻利因物种

Harsha S Karnamkkott1, Sujit Das1, Totan Mondal2

  • 1Department of Chemistry, Indian Institute of Technology Madras, Chennai, India.

Journal of computational chemistry
|December 22, 2023
PubMed
概括

像这样的主要组元素现在可以激活小分子,模仿金属复合体. 理论研究表明,物种可以与一氧化碳 (CO) 结合,但不能与 (N2) 结合,并为CO结合计算了能量屏障.

关键词:
CO与N2结合/激活和对对相互作用的能量.在 DFT 方面,它是最重要的.在EDA-NOCVCV中使用.在QTAIM中,QTAIM是QTAIM.玻利-烯/玻利-烯-烯./-三重键是/-的三重键.

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