León-Rubio, Santiago; SASTRE NAVARRO, GERMAN IGNACIO(American Chemical Society, 2020-08-06)
[EN] "Shape" was the first criterion claimed to explain the specificity between organic structure-directing agents (OSDAs) and zeolite micropores. With the advent of computational chemistry methods applied to study the ...
León Rubio, Santiago(Universitat Politècnica de València, 2023-11-06)
[ES] Las zeolitas son un material de aluminiosilicatos cristalinos microporosos extensivamente utilizados como catalizadores y tamices moleculares involucrados en procesos de separación. La mayoría de estos materiales son ...
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 ...