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Yikun Wang ◽  
Yinhe Liu ◽  
Qi Cao ◽  
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Defu Che
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The reaction mechanism of reaction reported by Onodera et al4 was studied in the M06L/Def2SVP level of theory. Two possible reaction products were characterized, named as product a and product b, where product a that was identified in the experimental study is due to a exergonic reaction and product b due to a endoergonic reaction.

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Katharina Plasch ◽  
Stefan E. Payer ◽  
Claudia Ertl ◽  
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