Combined multi-level quantum mechanics theories and molecular mechanics study of water-induced transition state of OH<sup>−</sup>+CO<sub>2</sub> reaction in aqueous solution

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) Charge distribution evolution of the and CO₂ along the NEB reaction pathway for the reaction in aqueous solution.