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5. The combination of superhalogens and Brφnsted acids HX(X=F,Cl,Br):An effective strategy for designin

The combination of superhalogens and Brφnsted acids HX(X=F,Cl,Br):An effective strategy for designin

来源 :中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛 | 被引量 : 0次 | 上传用户：ymlazy61

【摘 要】

：

A series of 27 composite structures,consisting of superhalogen and Brφnsted acid,is designed and systematically studied based on combined ab initio and DFT calculations focusing on their potentials as

【作 者】

：

Fu-Qiang Zhou Bing Yin 

【机 构】

：

College of Chemistry and Materials Science,Northwest University,Xi'an,710127

【出 处】

：

中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛

【发表日期】

：

2017年10期

【关键词】

：

Superacid superhalogen CCSD(T) DFT 

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　　A series of 27 composite structures,consisting of superhalogen and Brφnsted acid,is designed and systematically studied based on combined ab initio and DFT calculations focusing on their potentials as novel superacids.

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