On a possible invariance of a transition structure to the effects produced by ancillary H-bonding molecules: Modeling the effects of Ser-48 in the hydride-transfer step of liver alcohol dehydrogenase

• The influence of a hydroxyl group simulating Ser-48 in the hydride-transfer step characteristic of liver alcohol dehydrogenase is studied on the hydride-transfer reaction as modeled by a methanolate anion interacting with a cycle propenyl cation. It is sh

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MEYER-SCHUSTER REACTION; STATE THEORY; ABINITIO MO; ENERGY HYPERSURFACES; CYCLOPROPENYL-CATION; CATALYTIC MECHANISM; COLLINEAR REACTIONS; ANALYTICAL GRADIENT; HYDROGEN MOLECULES; ELECTRONIC ASPECTS

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