Publications by authors named "Reisel Millan"

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Resolving Complex K-Pt-Sn Interactions in PtSn@K-MFI Catalysts for Alkane Dehydrogenation.
Adrián Martínez Gómez-Aldaraví, Reisel Millán, Isabel Millet, Aroa Alós, Alejandro Vidal-Moya

J Am Chem Soc· April 2025

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Translocation and Confinement of Tetraamines in Adaptable Microporous Cavities.
Ana Rubio-Gaspar, Alechania Misturini, Reisel Millan, Neyvis Almora-Barrios, Sergio Tatay

Angew Chem Int Ed Engl· July 2024

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Machine-learning-accelerated simulations to enable automatic surface reconstruction.
Xiaochen Du, James K Damewood, Jaclyn R Lunger, Reisel Millan, Bilge Yildiz

Nat Comput Sci· December 2023

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Effect of Framework Composition and NH on the Diffusion of Cu in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics.
Reisel Millan, Estefanía Bello-Jurado, Manuel Moliner, Mercedes Boronat, Rafael Gomez-Bombarelli

ACS Cent Sci· November 2023

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Mobility and Reactivity of Cu Species in Cu-CHA Catalysts under NH-SCR-NOx Reaction Conditions: Insights from AIMD Simulations.
Reisel Millan, Pieter Cnudde, Veronique van Speybroeck, Mercedes Boronat

JACS Au· October 2021

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Combined Spectroscopic and Computational Study of Nitrobenzene Activation on Non-Noble Metals-Based Mono- and Bimetallic Catalysts.
Reisel Millán, María Dolores Soriano, Cristina Cerdá Moreno, Mercedes Boronat, Patricia Concepción

Nanomaterials (Basel)· August 2021

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Hydrogenation of substituted nitroaromatics on non-noble metal catalysts: mechanistic insights to improve selectivity.
Reisel Millán, Mercedes Boronat

Faraday Discuss· May 2021

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Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH-SCR-NO) Conditions.
Reisel Millan, Pieter Cnudde, Alexander E J Hoffman, Christian W Lopes, Patricia Concepción

J Phys Chem Lett· December 2020

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Impact of Zeolite Framework Composition and Flexibility on Methanol-To-Olefins Selectivity: Confinement or Diffusion?
Pau Ferri, Chengeng Li, Reisel Millán, Joaquín Martínez-Triguero, Manuel Moliner

Angew Chem Int Ed Engl· October 2020

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