School of Chemical Engineering and Technology;
Tianjin University;
Tianjin 300072;
China;
Xinhua Pharmaceutical(Shouguang)Co.;
Ltd;
Weifang 262700;
China;
National Collaborative Innovation Centre of Chemical Science and Engineering(Tianjin);
Tianjin 300072;
China;
Tautomerization; Solvate; Molecular dynamics simulation; Quantum chemical calculation;