Javier E. Alfonso Ramos
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    • Construction of Training Datasets for Chemical Reactivity Prediction Through Computational Means
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    • Improving the reliability of, and confidence in, DFT functional benchmarking through active learning
    • Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications
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    • Repurposing Quantum Chemical Descriptor Datasets for On-the-Fly Generation of Informative Reaction Representations: Application to Hydrogen Atom Transfer Reactions
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    • Origins of the Reactivity in 1,3-Dipolar Cycloadditions of Acyl Isocyanide Ylides
    • Merging Dual Photoredox/Cobalt Catalysis and Boronic Acid (Derivatives) Activation for the Minisci Reaction
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Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications

Jan 1, 2025·
Maxime Ferrer
,
Bowen Deng
,
Javier E. Alfonso-Ramos
,
Thijs Stuyver
· 0 min read
Cite DOI
Type
Manuscript
Publication
ChemRxiv
Last updated on Jan 1, 2025
← Improving the reliability of, and confidence in, DFT functional benchmarking through active learning Jan 1, 2025
Alternative CNDOL Fockians for Fast and Accurate Description of Molecular Exciton Properties Jan 1, 2024 →

© 2025 Javier E. Alfonso-Ramos. This work is licensed under CC BY NC ND 4.0

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