Title of article
Prediction of ring formation efficiency via diene ring closing metathesis (RCM) reactions using the M06 density functional
Author/Authors
Pandian، نويسنده , , Shanthi and Hillier، نويسنده , , Ian H. and Vincent، نويسنده , , Mark A. and Burton، نويسنده , , Neil A. and Ashworth، نويسنده , , Ian W. and Nelson، نويسنده , , David J. and Percy، نويسنده , , Jonathan M. and Rinaudo، نويسنده , , Giuseppe، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
37
To page
40
Abstract
Using density functional theory employing the M06 functional, we predict the reaction path energetics of ring formation via diene ring closing metathesis (RCM) reactions, and thence the effective molarity (EM) for the formation of cyclohexene, which is in good accord with the experimental lower limit which we report here.
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1926838
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