Zeolites at the Molecular Level: What Can Be Learned from Molecular Modeling

This review puts the development of molecular modeling methods in the context of their applications to zeolitic active sites. We attempt to highlight the utmost necessity of close cooperation between theory and experiment, resulting both in advances in computational methods and in progress in experi...

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Bibliographic Details
Main Authors: Ewa Broclawik, Paweł Kozyra, Mariusz Mitoraj, Mariusz Radoń, Paweł Rejmak
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Molecules
Subjects:
DFT
Online Access:https://www.mdpi.com/1420-3049/26/6/1511