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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical
Society
2017
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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 |