Morphological Plasticity of LiCl Clusters Interacting with Grignard Reagent in Tetrahydrofuran

[Image: see text] Ab initio molecular dynamics simulations are used to explore tetrahydrofuran (THF) solutions containing pure LiCl and LiCl with CH(3)MgCl, as model constituents of the turbo Grignard reagent. LiCl aggregates as Li(4)Cl(4), which preferentially assumes compact cubane-like conformati...

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Detalles Bibliográficos
Autores principales: de Giovanetti, Marinella, Hopen Eliasson, Sondre H., Castro, Abril C., Eisenstein, Odile, Cascella, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10401704/
https://www.ncbi.nlm.nih.gov/pubmed/37471267
http://dx.doi.org/10.1021/jacs.3c04238

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10401704/
https://www.ncbi.nlm.nih.gov/pubmed/37471267
http://dx.doi.org/10.1021/jacs.3c04238

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