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Listar por palabra clave "Lattice energy minimization"

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Zeolite Phase Selectivity Using the Same Organic Structure-Directing Agent in Fluoride and Hydroxide Media

León-Rubio, Santiago; SASTRE NAVARRO, GERMAN IGNACIO (American Chemical Society, 2021-02-03)

[EN] Force field-based calculations of all-silica zeolites show the role of fluoride as a structure-directing agent (SDA). Calculations of fully packed organic and fluoride SDAs were possible with an updated version of ...

Mostrando ítems 1-1 de 1