Quantum Chemistry Studies on Relationship between Structure and Properties of Potassium Chlorate

摘要：

Potassium chlorate, as one of oxidants used commonly in pyrotechnics, is very dangerous in practice. Hence researches on the properties of potassium chlorate can help to utilize it much better. In this paper, through a microcosmic angle, the chemical bond bonding rule, geometry structure and charge distribution of potassium chlorate are analyzed and elucidated qualitatively and quantitatively by means of the quantum chemistry theory and method. Then the relationship between structure and properties of potassium chlorate has been presented.

关键词： potassium chlorate substauce structure quantum chemistry

作者: ZHANG Feng WANG Peilan WANG Liqiong

作者单位: State Key Laboratory of Explosion Science and Technology,Beijmg Institute of Technology,Beijing 100081,China

会议类型: 国际会议

会议名称: The 2008 International Symposium on Safety Science and Technology(2008年安全科学技术国际会议)

会议地点: 北京

会议语种:英文

页码: 1041-1044

在线出版日期: 2008-09-24（万方平台首次上网日期，不代表论文的发表时间）