Application of density functional theory to the nitric oxide heterogeneous reduction mechanism in the presence of hydroxyl and carbonyl groups

著录项

• 来源
  《Energy Conversion & Management》 |2014年第7期|167-176|共10页
• 作者

  Hai Zhang; Xiumin Jiang; Jiaxun Liu; Jun Shen;

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• 作者单位

  Institute of Thermal Energy Engineering, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;

  Institute of Thermal Energy Engineering, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;

  Institute of Thermal Energy Engineering, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;

  Institute of Thermal Energy Engineering, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;

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• 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  NO heterogeneous reduction; Hydroxyl group; Carbonyl group; Density functional theory; Conventional transition state theory;

  机译：没有异质还原;羟基;羰基;密度泛函理论;常规过渡态理论;