Journal of the American Chemical Society, Vol.120, No.33, 8541-8542, 1998
Synergism of catalysis and reaction center rehybridization. An ab initio study of the hydrolysis of the parent carbodiimide
Keywords:MOLECULAR-STRUCTURE;CARBONIC-ANHYDRASE;WATER DIMER;GAS-PHASE;MECHANISM;HYDRATION;ABINITIO;BINDING;HN=C=NH