ArticleACS omega2018
Reassessment of the Four-Point Approach to the Electron-Transfer Marcus-Hush Theory.
Article in ACS omega, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
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- Cocrystal Engineering of Organic Semiconductors for Photovoltaic Applications: Modeling Excited-State Properties of a Charge Transfer Cocrystal of a Dicarbazole Donor and a Fluoranil Acceptor.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- Multisite Proton-Coupled Electron Transfer Enables Iodanyl Radical Catalysis.Journal of the American Chemical Society · 2025Article
- Exploring organic chemical space for materials discovery using crystal structure prediction-informed evolutionary optimisation.Nature communications · 2025Article
- Beyond Strain Release: Delocalization-Enabled Organic Reactivity.The Journal of organic chemistry · 2024Article
- Simulating Electron Transfer Reactions in Solution: Radical-Polar Crossover.The journal of physical chemistry. B · 2023Article
- Fluorescent Mechanism of a Highly Selective Probe for Copper(II) Detection: A Theoretical Study.ACS omega · 2023Article
- Dynamic Formation of Metal-Based Traps in Photoexcited Colloidal Quantum Dots and Their Relevance for Photoluminescence.Chemistry of materials : a publication of the American Chemical Society · 2021Article
- Chain propagation determines the chemo- and regioselectivity of alkyl radical additions to C-OChemical science · 2020Article
- Improving the theoretical description of charge transport in organic crystals.Journal of molecular modeling · 2019Article
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Authors and funding
4 authors.
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Abstract
The Marcus-Hush theory has been successfully applied to describe and predict the activation barriers and hence the electron-transfer (ET) rates in several physicochemical and biological systems. This theory assumes that in the ET reaction, the geometry of the free Gibbs energy landscape is parabolic, with equal curvature near the local minimum for both reactants and products. In spite of its achievements, more realistic models have included the assumption of the two parabolas having not the same curvature. This situation is analyzed by the Nelsen's four-point method. As a benchmark to compare the Marcus-Hush approximation to a precise calculation of the excitation energy, we studied the non-ET process of the electronic excitation of the aluminum dimer that has two local minima (
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