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Faraday Discussions|March 2, 2021
Hydrogenation of substituted nitroaromatics on non-noble metal catalysts: mechanistic insights to improve selectivityReisel Millán, Mercedes BoronatJournal of Chemical Information and Modeling|May 6, 2026
MechaSuite: An Integrated Software for Chemical Reaction Mechanism Analysis and Microkinetic ModelingReisel Millán, Miguel Ródenas, Alechania MisturiniNanomaterials (Basel, Switzerland)|August 27, 2021
Combined Spectroscopic and Computational Study of Nitrobenzene Activation on Non-Noble Metals-Based Mono- and Bimetallic CatalystsReisel Millán, María Dolores Soriano, Cristina Cerdá Moreno, et al.Angewandte Chemie (International Ed. in English)|June 30, 2020
Impact of Zeolite Framework Composition and Flexibility on Methanol-To-Olefins Selectivity: Confinement or Diffusion?Pau Ferri, Chengeng Li, Reisel Millán, et al.Molecular Informatics|August 4, 2016
Discrete Derivatives for Atom-Pairs as a Novel Graph-Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark DatabasesOscar Martínez-Santiago, Reisel Millán-Cabrera, Yovani Marrero-Ponce, et al.Journal of the American Chemical Society|April 3, 2025
Resolving Complex K-Pt-Sn Interactions in PtSn@K-MFI Catalysts for Alkane DehydrogenationAdrián Martínez Gómez-Aldaraví, Reisel Millán, Isabel Millet, et al.Current Pharmaceutical Design|November 18, 2016
Generalized Molecular Descriptors Derived From Event-Based Discrete DerivativeOscar Martínez-Santiago, Reisel Millán Cabrera, Yovani Marrero-Ponce, et al.Journal of the American Chemical Society|June 27, 2026
Gate-Tailoring with Protons and Metal Cations in a Flexible Zeolite for High-Efficiency Ethylene/Ethane SeparationXiaohe Wang, Libo Li, Nana Yan, et al.Pageof 1