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The model reaction between methyl 2-fluoropropionate Chemical substances/Nomenclature
and methoxide or hydroxide anion was studied at the PM3
or ab initio 6-31G(d) SCF-MO levels respectively.... Chemical terminology
It can be envisaged that in the anti transition state
there is an n-s* stabilising interaction of the
Ahn-Eisenstein type, between the Chemical terminology
active site serine hydroxide nucleophile of the enzyme Biochemical terminology
and the low energy s* orbital Chemical terminology
anti-periplanar to the C-F bond of the substrate.
SVG rather than Bitmap Chemical substance/reactions
The calculated PM3 entropy difference between 1 and 2 Relational terminology
of 0.4 cal K-1 mol-1 results in a free
energy difference of 2.5 kcal mol-1 at 300K. STM Units
Published as HTML in J. Chem. Soc., Perkin Trans
2, 1994, 3. (c) Royal Society of Chemistry
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