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Computationally Designed 1,2,4-Triazolylidene-Derived N-Heterocyclic Olefins for CO(2) Capture, Activation, and Storage

[Image: see text] In this article, triazolylidene-derived N-heterocyclic olefins (trNHOs) are designed using computational quantum tools, and their potential to promote CO(2) sequestration is tested and discussed in detail. The low barrier heights related to the trNHO-mediated process indicate that...

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Detalles Bibliográficos
Autores principales:	de Lima Batista, Ana Paula, de Oliveira-Filho, Antonio G. S., Galembeck, Sérgio Emanuel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2017
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641026/ https://www.ncbi.nlm.nih.gov/pubmed/31457230 http://dx.doi.org/10.1021/acsomega.6b00411

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