Combined multi-level quantum mechanics theories and molecular mechanics study of water-induced transition state of OH+CO2 reaction in aqueous solution
Li Chen, Niu Meixing, Liu Peng, Li Yongfang, Wang Dunyou
       

(color online) Structure evolution of the 10 beads along the NEB reaction pathway for the reaction in aqueous solution. Figures 3(a), 3(g), and 3(j) are the structures of the reactant state, the transition state, and the product state, respectively. Bond distances are in unit Å.