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  • 标题:Kinetics and Thermodynamic Study on the Oxidation of 1,1-Dimethylhydrazine by Iodine: A MNDO and DFT Approach
  • 本地全文:下载
  • 作者:David Ebuka ARTHUR ; Adamu UZAIRU ; Philip John AMEJI
  • 期刊名称:Walailak Journal of Science and Technology (WJST)
  • 印刷版ISSN:2228-835X
  • 出版年度:2015
  • 卷号:12
  • 期号:12
  • 页码:1083-1096
  • 语种:English
  • 出版社:Institute of Research and Development, Walailak University.
  • 摘要:The reaction mechanism of the oxidation of 1,1-dimethylhydrazine by iodine was examined using semi-empirical and density functional theory methods. The oxidation proceeded via an independent pathway which was monitored and the results of the kinetic and thermodynamic study were determined. It was found that the reactant as seen by their determined binding energy would readily undergo a two-step reaction leading to the decomposition of the reactants and the formation of more stable products. doi: 10.14456/WJST.2015.91
  • 关键词:1,1-dimethylhydrazine, DFT, MNDO, Iodine, oxidation reaction
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