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    Theoretical study on the reaction mechanism of NO and CO catalyzed by Rh atom

    The gas-phase reaction mechanism of NO and CO catalyzed by Rh atom has been systematically investigated on the ground and first excited states at CCSD(T)//B3LYP/6-311+G(2d), SDD level. This reaction is mainly ...

    Qian-Qian Xu, Hua-Qing Yang, Chao Gao, Chang-Wei Hu in Structural Chemistry (2013)