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 experimental techniques.

Automated summary

This review emphasizes the importance of molecular modeling methods in the application to zeolitic active sites and highlights the necessity of close cooperation between theory and experiment, resulting in advances in computational methods and experimental techniques.