ClONO2及其异构体光解反应的从头算研究(II):ClONO2→ClO…
1998
用从头算方法讨论了大气臭氧层主要破坏物ClONO2在光照下解反应途径:ClONO2→ClO+NO2的反应机理。该反应的2个过渡态ClO...NOO(TS2a)和OCl...NOO(TS2b)中TS2a能垒较高。
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