First-principles Evaluation of Catalytic Performance of Zeolite

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:wht000a
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  Catalytic reactions of zeolites mainly occurring at their acid sites are associated with both the host structures and the origins of acid site formation; however,there is a lack of comprehensive quantitative method to characterize the acid sites from both thermodynamic and kinetic aspects.
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