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Displaying 5 results.
    • Journal article
    First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules
    Cardia, Roberto Dardenne, Nicolas[UCL] Mula, Guido Pinna, Elisa Rignanese, Gian-Marco[UCL] Charlier, Jean-Christophe[UCL] Cappellini, Giancarlo (2023) The Journal of Physical Chemistry A — Vol. 127, no.51, p. 10797-10806 (2023)
    • Dissertation
    Electronic and optical properties of organic materials from first-principles for green energy
    Dardenne, Nicolas[UCL] (2019)
    • Journal article
    Ab initio calculations of open cell voltage in newly designed PTMA-based Li-ion organic radical batteries
    Dardenne, Nicolas[UCL] Hautier, Geoffroy[UCL] Gohy, Jean-François[UCL] Charlier, Jean-Christophe[UCL] Rignanese, Gian-Marco[UCL] (2018) Computational Materials Science — Vol. 143, p. 27-31 (2018)
    • Journal article
    Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study
    Dardenne, Nicolas[UCL] Cardia, Roberto Li, Jing Malloci, Giuliano Cappellini, Giancarlo Blase, Xavier Charlier, Jean-Christophe[UCL] Rignanese, Gian-Marco[UCL] (2017) The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces — Vol. 121, no.44, p. 24480-24488 (2017)
    • Journal article
    Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries
    Dardenne, Nicolas[UCL] Blase, Xavier Hautier, Geoffroy[UCL] Charlier, Jean-Christophe[UCL] Rignanese, Gian-Marco[UCL] (2015) The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces — Vol. 119, no.41, p. 23373-23378 (2015)