Ab initio study on the reaction of Sc+ +
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Song Ye; Nanhua Shi; Jianhua Huang; Shushan Dai
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Article
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1997
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John Wiley and Sons
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English
β 161 KB
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Ε½ 3 . Ε½ 1 . An ab initio study on the reaction of the ground state D and the excited state D of Sc q with methane was performed. Reaction channels on the singlet and triplet potential Ε½ . surface PES and the reaction mechanism are examined and discussed. Three regions of the potential surface was st