Article ID Journal Published Year Pages File Type
5274192 Tetrahedron Letters 2008 5 Pages PDF
Abstract

Ab initio at HF/6-31G and HF/6-31G(d,p) levels, AM1 and molecular mechanics calculations of thermodynamic and kinetic parameters for Menger's system 1-3 (an important enzyme model) indicate that the remarkable enhancement in the proton transfer process is largely the result of a strain effect, and this strain is a function of the bond distance between the two reacting centers and the value of the angle of attack.

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Physical Sciences and Engineering Chemistry Organic Chemistry
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