Prediction of monomer reactivity in radical copolymerizations from transition state quantum chemical descriptors

Prediction of monomer reactivity in radical copolymerizations from transition state quantum chemical descriptors

In comparison with the Q-e scheme, the Revised Patterns Scheme: the U, V Version (the U-V scheme) has greatly improved both its accessibility and its accuracy in interpreting and predicting the reactivity of a monomer in free-radical copolymerizations. Quantitative structure-activity relationship (Q...

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Bibliographic Details
Main Authors: Zhengde Tan, Jiyong Deng, Shihua Zhang, Xinliang Yu
Format: Article
Language:English
Published: Associação Brasileira de Polímeros 2013-01-01
Series:Polímeros
Subjects:
Genetic algorithm
quantum chemistry
radical copolymerizations
structure-activity relations
support vector machine
transition state
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-14282013000400009&lng=en&tlng=en

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-14282013000400009&lng=en&tlng=en

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