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Journal of Catalysis
Fig. 6 . Calculated transition state (TS) for the reduction step from NO 3 to NO 2 -. The DMS molecule shows no interaction with the complex or the nitrate anion in the transition state. Fig. 7 . Calculated reaction profile of the first OAT step in catalytic nitrate reduction with 2 (CH 3 CN/H 2 O 50/50 vol%).doi:10.1016/j.jcat.2021.03.028 fatcat:x35uz6ij5fbkviob2moef3jcqa