Fig. 3
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Reaction pathways and the optimized structures of 
: panel A based on the >C = O functional group and two typical edged-carbon sites of 
(a, e); panel B based on the -CH2OH functional group and two typical edged-carbon sites of 
(a, e); panel C based on the >CH2 functional group and two typical edged-carbon sites of 
(a, e). Selection drawn from the 6-311++G** basis set.
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