Data for quantum-chemical modeling of the mechanisms of ring-opening polymerization of methyl ethylene phosphate

The data presented in this paper are related to the research article entitled "Mechanistic study of transesterification in TBD-catalyzed ring-opening polymerization of methyl ethylene phosphate" (Nifant'ev et al., 2019). In this data article, we present 3D molecular information of 76...

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Detalhes bibliográficos
Publicado no:Data Brief
Main Authors: Nifant'ev, Ilya E., Shlyakhtin, Andrey V., Kosarev, Maxim A., Komarov, Pavel D., Karchevsky, Stanislav G., Ivchenko, Pavel V.
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2019
Assuntos:
Chemistry
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6743007/
https://ncbi.nlm.nih.gov/pubmed/31528673
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2019.104431
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