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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Библиографические подробности
Опубликовано в: :Polímeros: Ciência e Tecnologia
Главные авторы: Zhengde Tan, Jiyong Deng, Shihua Zhang, Xinliang Yu
Формат: Artigo
Язык:Inglês
Опубликовано: Associação Brasileira de Polímeros 2013
Предметы:
Química
structure
transition state
Genetic algorithm
quantum chemistry
activity relations
Online-ссылка:https://www.redalyc.org/articulo.oa?id=47028115007
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