Study of template interactions in MFI and MEL zeolites using quantum methods

Article

Abstract: The interactions between zeolites and templates in MFI and MEL (MEL1 and MEL2) structures combined w

Palabras claves:

DFT-D, DFTB-LD, molecular dynamics, Template-zeolite interactions, Theoretical modeling

Autores:

Córdova-Sintjago T.C., Díaz R., Luis José Borrero González, Ruette F., Sánchez M.

Fuentes:

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scopus