A.Radhi, W. (2013). Prediction of Condensation Temperatures of Substituted p-Xylylene Monomers by quantitative structure property relationships (QSPR. , 12(23), 47-54.
Wisam A.Radhi. "Prediction of Condensation Temperatures of Substituted p-Xylylene Monomers by quantitative structure property relationships (QSPR". , 12, 23, 2013, 47-54.
A.Radhi, W. (2013). 'Prediction of Condensation Temperatures of Substituted p-Xylylene Monomers by quantitative structure property relationships (QSPR', , 12(23), pp. 47-54.
A.Radhi, W. Prediction of Condensation Temperatures of Substituted p-Xylylene Monomers by quantitative structure property relationships (QSPR. , 2013; 12(23): 47-54.

Prediction of Condensation Temperatures of Substituted p-Xylylene Monomers by quantitative structure property relationships (QSPR

Misan Journal of Acodemic Studies
Article 1, Volume 12, Issue 23, 2013, Pages 47-54
Author
Wisam A.Radhi
Abstract
In this work, a linear quantitative structure–property relationship (QSPR) model is presented for the prediction of condensation temperatures of Substituted p-Xylylene Monomers. The geometries of the studies compounds were optimized first at level (MM+) by molecular mechanism force field theory and then at level (AM1) by semi- empirical theory. QSPR model includes some molecular properties, regression quality indicates that these descriptors provide valuable information and have significant role in the assessment of the condensation temperatures of Substituted p-Xylylene Monomers. This model provides good results, when the model depends on four parameters [M.W, T.E, ELEC.E and I.P], with correlation coefficient R2 = 0.961 for 8 p-Xylylene Monomers.
Statistics
Article View: 157
PDF Download: 72


Journal Management System. Powered by iJournalPro.com