ReviewChemPlusChem2026
From Cages to Sheets: Computational Elucidation of Methylaluminoxane Structure and Reactivity.
Review in ChemPlusChem, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
1 citing paper in PubMed.
- Structure-Reactivity Relationships in Methylaluminoxane: Ionization Potentials Across Compositions and Morphologies.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
Methylaluminoxane (MAO) is the most widely used cocatalyst in single-site olefin polymerization, yet its molecular structures have decisively resisted characterization. Computational chemistry has played an indispensable role throughout the characterization efforts, from the earliest cage-based structural proposals inspired by tert-butylaluminoxane analogs through systematic hydrolysis-based modeling to the identification of two-dimensional sheet structures as the thermodynamically preferred motif. This review traces that computational journey, with particular attention to the methodological advances and failures that shaped it. The discovery that widely used density functional theory methods for MAO carry systematic errors for four-coordinate aluminum-oxygen environments, and that vibrational entropy rather than electronic energy is the decisive thermodynamic quantity in the experimentally relevant size domain, fundamentally redirected the field. The resulting ovalene-based sheet model for the dominant [(AlOMe)
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.