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采用ＥＨＭＯ方法分别计算了铜、银或金表面吸附氧的位能曲线以及铜或银单独存在时氧与乙烯生成超氧化物中间体的位能面，从而了解铜、金不能催化乙烯选择氧化的原因．
EHMO method was used to calculate the potential energy curves of adsorbed oxygen on copper, silver or gold surface and the potential energy surface of oxygen and ethylene to form superoxide intermediate when copper or silver were separately present, so as to understand the reason why copper and gold could not catalyze ethylene selective oxidation .