Bello-Jurado, Estefanía; Ferri-Vicedo, Pau; Nero, Mathias; Willhammar, Tom; Millet Roig, Isabel; Schütze, Frank W.; van Tendeloo, Leen; Vennestrøm, Peter N.R.; Boronat Zaragoza, Mercedes; Corma Canós, Avelino; Moliner Marin, Manuel(Elsevier, 2022-04)
[EN] Computer-assistance allows selecting the most adequate low-cost organic structure directing agents (OSDAs) for the crystallization of Al-rich CHA-type zeolites. The host-guest stabilization energies of tetraethylammonium ...
[EN] A novel ab initio methodology based on high-throughput simulations has permitted designing unique biselective organic structure-directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth ...