Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5274192 | Tetrahedron Letters | 2008 | 5 Pages |
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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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Rafik Karaman,