Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations by Veronique Van Speybroeck Massimo Bocus Pieter Cnudde and Louis Vanduyfhuys
Author:Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, and Louis Vanduyfhuys , Date: July 24, 2024
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Author:Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, and Louis Vanduyfhuys
Format: pdf
Tags: ACS Catal. 2023.13:11455-11493, molecular dynamics, kinetics, diffusion, operating conditions, enhanced sampling, density functional theory, zeolites, catalysis
Published: 2023-08-24T13:47:49+00:00
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