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Updated: Jul 6, 2025

Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes
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Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes

Published on: June 24, 2022

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对于氨 (NH) 和三化 (NF) 的C6N8的检测潜力:一个DFT研究

Uzma Saleem1, Rabia Jamil1, Hafsah Nadeem1

  • 1Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan.

Journal of molecular graphics & modelling
|January 9, 2024
PubMed
概括

一种新的C6N8材料在检测有毒氨 (NH3) 和三化 (NF3) 气体方面表现有前途. DFT计算显示了不同的吸附行为,表明C6N88.

关键词:
C(6) N(8) 的情况.在 DFT 方面,它是最重要的.相互作用能量 相互作用能量美国国有银行 (NBO)NF ((3)) 的情况.在NH ((3)) 中.

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