Search Results - Desmedt, Eline

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  1. 1
    Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches

    Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches by Desmedt, Eline, Serrano Gimenez, Léa, De Vleeschouwer, Freija, Alonso, Mercedes

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  2. 2
    Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design

    Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design by Desmedt, Eline, Woller, Tatiana, Teunissen, Jos L, De Vleeschouwer, Freija, Alonso, Mercedes

    Published in Frontiers in chemistry
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  3. 3
    Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

    Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning by Desmedt, Eline, Jacobs, Michiel, Alonso, Mercedes, De Vleeschouwer, Freija

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  4. 4
    Cover Feature: Aromaticity in the Spectroscopic Spotlight of Hexaphyrins (Chem. Eur. J. 52/2024)

    Cover Feature: Aromaticity in the Spectroscopic Spotlight of Hexaphyrins (Chem. Eur. J. 52/2024) by Desmedt, Eline, Casademont‐Reig, Irene, Monreal‐Corona, Roger, De Vleeschouwer, Freija, Alonso, Mercedes

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  5. 5
    Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and meso -substitutions

    Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and meso -substitutions by Desmedt, Eline, Smets, David, Woller, Tatiana, Alonso, Mercedes, De Vleeschouwer, Freija

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  6. 6
    A regression approach to accurate interaction energies using topological descriptors

    A regression approach to accurate interaction energies using topological descriptors by Peccati, Francesca, Desmedt, Eline, Contreras-García, Julia

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  7. 7
    Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and -substitutions

    Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and -substitutions by Desmedt, Eline, Smets, David, Woller, Tatiana, Alonso, Mercedes, De Vleeschouwer, Freija

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  8. 8
    The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory

    The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory by Deraet, Xavier, Desmedt, Eline, Van Lommel, Ruben, Van Speybroeck, Veronique, De Proft, Frank

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  9. 9
    SUPPORTING INFORMATION -A REGRESSION APPROACH TO ACCURATE INTERACTION ENERGIES USING TOPOLOGICAL DESCRIPTORS

    SUPPORTING INFORMATION -A REGRESSION APPROACH TO ACCURATE INTERACTION ENERGIES USING TOPOLOGICAL DESCRIPTORS by Peccati, Francesca, Desmedt, Eline, Contreras-García, Julia

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  10. 10
    Aromaticity in the Spectroscopic Spotlight of Hexaphyrins

    Aromaticity in the Spectroscopic Spotlight of Hexaphyrins by Desmedt, Eline, Casademont‐Reig, Irene, Monreal‐Corona, Roger, De Vleeschouwer, Freija, Alonso, Mercedes

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  11. 11
    Heteroaryl sulfonamide synthesis: scope and limitations

    Heteroaryl sulfonamide synthesis: scope and limitations by Iakovenko, Roman O, Chrenko, Daniel, Kristek, Jozef, Desmedt, Eline, Zálešák, František, De Vleeschouwer, Freija, Pospíšil, Ji í

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