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Ab initio theoretical study of the interactions between CFCs and CO2

上传者: 2020-07-23 01:40:01上传 PDF文件 365.52KB 热度 17次
Ab initio theoretical study of the interactions between CFCs and CO2,王芳,王海军,Ab initio calculations were carried out for system of CFCs (CFC-11, CFC-12, CFC-13) with CO2, and twelve stable configurations were obtained with no imaginary frequencies. To obtai
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