Theoretical Investigation of the MQMAS NMR Characteristics from the ab initio Molecular Dynamics for CHA Zeolite

Theoretical Investigation of the MQMAS NMR Characteristics from the ab initio Molecular Dynamics for CHA Zeolite

This is a poster we presented to MC14 in Birmingham.
It covers an overview on coupling of ab-initio MD simulation and NMR simulations.

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Federico Brivio

July 08, 2019
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