The study investigated the chiral enantiomer transition of α-alanine zwitterion and the catalysis of water molevules(clusters) in water/liquid phase environment by using the WB97X-D method based ondensity functional theory dispersion correction and MP2 method for multibody perturbation theroy

and combining with the study of reaction channel showed that the chiral enantiomer transition of monomer α-alanine zwitterion in water/liquid phase environment had one channel

and that had two channels when water molecules (clusters) acted as proton transfer carrier. Calculation of the potential energy surface showed that the activation energy of chiral enantiomer transition of monomer α-alanine zwitterion was 281.6 kJ/mol

and that was reduced to 146.1 and 141.8 kJ/mol by the catalysis of two and three water clusters

respectively.The results showed that the catalysis of water molecules clusters in water/liquid phase environment can enable α-alanine zwitterion to realize chiral enantiomer transition in trace amount