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

; ; ; ; ; ; ; ;

In
Molecular Dynamics in Catalysis: Advances, Challenges, and Future Directions : Special issue / Guest Editors: Professor Michael J. Janik, Dr. Pierre-Adrien Payard, Dr. Céline Chizallet, Dr. Roger Rousseau

In
Journal of catalysis 454, Seiten/Artikel-Nr.:116658

ImpressumAmsterdam [u.a.] : Elsevier

Umfang[1]-12

ISSN1090-2694

Received 6 October 2025, Revised 26 November 2025, Accepted 22 December 2025, Available online 23 December 2025

Online
DOI: 10.1016/j.jcat.2025.116658

DOI: 10.18154/RWTH-2026-00695
URL: https://publications.rwth-aachen.de/record/1026149/files/1026149.pdf

Einrichtungen

  1. Juniorprofessur für Mehrskalen-Modellierung heterogener Katalyse in Energiesystemen (422230)


Thematische Einordnung (Klassifikation)
DDC: 540

OpenAccess:
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Dokumenttyp
Journal Article/Contribution to a book

Format
online, print

Sprache
English

Anmerkung
Peer reviewed article

Externe Identnummern
SCOPUS: SCOPUS:2-s2.0-105026133543
WOS Core Collection: WOS:001656888300001
OpenAlex: W7117104067

Interne Identnummern
RWTH-2026-00695
Datensatz-ID: 1026149

Beteiligte Länder
Germany, Italy, USA

Lizenzstatus der Zeitschrift

 GO


Medline ; Creative Commons Attribution CC BY 4.0 ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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Document types > Books > Contributions to a book
Document types > Articles > Journal Articles
Faculty of Mechanical Engineering (Fac.4)
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Public records
Publications database
422230

 Record created 2026-01-19, last modified 2026-09-11


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