Our recent work on physical organic include

·         Hydrolysis of oxo-esters.^1,2

·         Reactivity of metaphosphate.³

References:

1.         Xie, D., Xu, D., Zhang, L. & Guo, H. Theoretical study of general base-catalyzed hydrolysis of aryl esters and implications for enzymatic reaction. J. Phys. Chem. B109, 5259 (2005).

2.         Xie, D., Zhou, Y., Xu, D. & Guo, H. Solvent effect on concertedness of transition state for hydrolysis of p-nitrophenyl acetate. Org. Letters 7, 2093 (2005).

3.         Zhang, L., Xie, D., Xu, D. & Guo, H. Reactivity of metaphosphate and thiometaphosphate in water: a DFT study. J. Phys. Chem. A109, 11295 (2005).

Rendering of motion in the reaction coordinate at the transition state for the hydrolysis of p-nitrophenyl acetate (PNPA).²