Solvent effects and potential of mean force study of the SN2 reaction of CH3+CN− in water

Solvent effects and potential of mean force study of the S_N2 reaction of CH₃+CN⁻ in water

Li Chen, Liu Peng, Li Yongfang, Wang Dunyou^‡

(color online) Comparison between gas-phase and solute internal energies along the NEB reaction pathway under the CCSD(T)/MM representation using the gas-phase energy of the reactant state as a reference.