Protonation dynamics of confined ethanol–water mixtures in H-ZSM-5 from machine learning-driven metadynamics

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Authors: Princy Jarngal, Benjamin A. Jackson, Simuck F. Yuk, Difan Zhang, Mal‐Soon Lee, Maria Cristina Menziani, Vassiliki‐Alexandra Glezakou, Roger J. Rousseau, GiovanniMaria Piccini
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Fields of Study & Subjects

Zeolite Catalysis and Synthesis Machine Learning in Materials Science Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Journal of Catalysis
Publication date
1 January 2026
Language
EN