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- W1975018965 abstract "Abstract Herein, we present a summary of the recent progress in the computational modeling of the transition-metal-assisted stereospecific polymerization of 1,3-dienes that has been achieved in our laboratory. This is aimed at illustrating, with the 1,3-diene polymerization as an example of a highly valuable industrial process, how computational modeling contributes to a more elaborate understanding of the work principles and the catalytic structure–reactivity relationships of established catalysts and, furthermore, how computational modeling can furthermore assist the rational design of new catalysts having improved abilities." @default.
- W1975018965 created "2016-06-24" @default.
- W1975018965 creator A5035019772 @default.
- W1975018965 date "2006-10-01" @default.
- W1975018965 modified "2023-09-23" @default.
- W1975018965 title "The stereospecific polymerization of 1,3-butadiene mediated by early and late transition-metal catalysts. Towards a deeper understanding of the catalytic structure–reactivity relationships from computational-mechanistic studies" @default.
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- W1975018965 doi "https://doi.org/10.1016/j.theochem.2006.03.036" @default.
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