Supported by the National Natural Science Foundation of China (No. 20773107, 20877049);China Postdoctoral Science Foundation (No. 20080431123);Jiangsu Planned Projects for Postdoctoral Research Funds (No. 0801020C)
Quantum chemical calculations were carried out to investigate the structures and properties for the inclusion complexes of nitrobenzene (NB) into β-cyclodextrin. Two low-energy conformations of β-cyclodextrin (A ...