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Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

 Laurie Lescos , Sebastian Sitkiewicz , Pierre Beaujean , Mireille Blanchard-Desce , Benoît Champagne , et al.
Physical Chemistry Chemical Physics, 2020, 22 (29), pp.16579-16594. ⟨10.1039/D0CP02992K⟩
Article dans une revue hal-03066215v1
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Dual-wavelength efficient two-photon photorelease of glycine by π-extended dipolar coumarins

 Maxime Klausen , Victor Dubois , Guillaume Clermont , Claire Tonnelé , Frédéric Castet , et al.
Chemical Science, 2019, 10 (15), pp.4209-4219. ⟨10.1039/C9SC00148D⟩
Article dans une revue hal-02416878v1
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Diketo-Pyrrolo Pyrrole-Based Acceptor-Acceptor Copolymers with Deep HOMO and LUMO Levels Absorbing in the Near Infrared

 Wissem Khelifi , Hussein Awada , Sylvie Blanc , Gilles Roche , Lionel Hirsch , et al.
Applied Sciences, 2022, 12, pp.4494. ⟨10.3390/app12094494⟩
Article dans une revue hal-03654909v1

Second-Order Nonlinear Optical Properties of Multiaddressable Indolinooxazolidine Derivatives: Joint Computational and Hyper-Rayleigh Scattering Investigations

 Kornelia Pielak , Flavie Bondu , Lionel Sanguinet , Vincent Rodriguez , Benoît Champagne , et al.
Journal of Physical Chemistry C, 2017, 121 (3), pp.1851-1860. ⟨10.1021/acs.jpcc.6b11082⟩
Article dans une revue hal-02564485v1

Multi-dimensional charge transport in supramolecular helical foldamer assemblies

 Alejandro Méndez-Ardoy , Nagula Markandeya , Xuesong Li , Yu-Tang Tsai , Gilles Pécastaings , et al.
Chemical Science, 2017, 8 (10), pp.7251 - 7257. ⟨10.1039/c7sc03341a⟩
Article dans une revue hal-01938472v1
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Electrochemical and Spectroelectrochemical Behavior of a Tetracyanotriphenodioxazine in Solution and Thin-Films

 Rita Meunier-Prest , Guillaume Gruntz , Frédéric Castet , Yohann Nicolas , Amélie Wannebroucq , et al.
ChemElectroChem, 2018, 5 (19), pp.2863-2872. ⟨10.1002/celc.201800646⟩
Article dans une revue hal-02296010v1
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Temperature-Dependent Structural Phase Transition in Rubrene Single Crystals: The Missing Piece from the Charge Mobility Puzzle?

 Arie van Der Lee , Maurizio Polentarutti , Gilles Roche , Olivier Dautel , Guillaume Wantz , et al.
Journal of Physical Chemistry Letters, 2022, 13 (1), pp.406-411. ⟨10.1021/acs.jpclett.1c03221⟩
Article dans une revue hal-03515175v1
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Halochromic Switch from the 1st to 2nd Near-Infrared Window of Diazapentalene–Dithienosilole Copolymers

 Wissem Khelifi , Hussein Awada , Katarzyna Brymora , Sylvie Blanc , Lionel Hirsch , et al.
Macromolecules, 2019, 52 (13), pp.4820-4827. ⟨10.1021/acs.macromol.9b00675⟩
Article dans une revue hal-02178217v1

From organic superconductors to DNA: Fragment orbital-based model

 Frédéric Castet , Laurent Ducasse , Alain Fritsch
International Journal of Quantum Chemistry, 2006, 106, pp.734-746. ⟨10.1002/qua.20838⟩
Article dans une revue istex hal-00103562v1

Spectroscopic and theoretical investigations of phenolic acids in white wines

 Coralie Martin , Jean-Luc Bruneel , Frédéric Castet , Alain Fritsch , Pierre Louis Teissedre , et al.
Food Chemistry, 2017, 221, pp.568-575. ⟨10.1016/j.foodchem.2016.11.137⟩
Article dans une revue hal-01606299v1

Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative

 Kornelia Pielak , Flavie Bondu , Lionel Sanguinet , Vincent Rodriguez , Frédéric Castet , et al.
Dyes and Pigments, 2019, 160, pp.641-646. ⟨10.1016/j.dyepig.2018.07.007⟩
Article dans une revue hal-02564626v1
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Exciton Interactions, Excimer Formation, and [2π+2π] Photodimerization in Nonconjugated Curcuminoid‐BF 2 Dimers

 Manon Catherin , Olatz F Uranga-Barandiaran , Arnaud Brosseau , Rémi Métivier , Gabriel Canard , et al.
Chemistry - A European Journal, 2020, 26 (17), pp.3818-3828. ⟨10.1002/chem.201905122⟩
Article dans une revue hal-02903478v1

Photophysics, Electrochemistry and Efficient Electrochemiluminescence of Trigonal Truxene‐Core Dyes

 Silvia Voci , Jean‐baptiste Verlhac , Federico Polo , Guillaume Clermont , Jonathan Daniel , et al.
Chemistry - A European Journal, 2020, 26 (38), pp.8407-8416. ⟨10.1002/chem.202000474⟩
Article dans une revue hal-03066224v1
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Optoelectronic properties of a self-assembling rigidly-linked BF2-curcuminoid bichromophore

 Claire Tonnelé , Manon Catherin , Michel Giorgi , Gabriel Canard , David Casanova , et al.
Dyes and Pigments, 2022, 207, pp.110677. ⟨10.1016/j.dyepig.2022.110677⟩
Article dans une revue hal-03778198v1

Acido- and phototriggered NLO properties enhancement

 Frédéric Castet , Benoît Champagne , Laurent Ducasse , Vincent Rodriguez , Lionel Sanguinet , et al.
Journal of Physical Chemistry B, 2005, 109, pp.1139-11150. ⟨10.1021/jp0442450⟩
Article dans une revue istex hal-00108427v1

Multi-State Second-Order Nonlinear Optical Switches Incorporating One to Three Benzazolo-Oxazolidine Units: A Quantum Chemistry Investigation

 Pierre Beaujean , Lionel Sanguinet , Vincent Rodriguez , Frédéric Castet , Benoît Champagne
Molecules, 2022, 27 (9), pp.2770. ⟨10.3390/molecules27092770⟩
Article dans une revue hal-03766491v1

Spontaneous exciton dissociation enables spin state interconversion in delayed fluorescence organic semiconductors

 Alexander Gillett , Claire Tonnelé , Giacomo Londi , Gaetano Ricci , Manon Catherin , et al.
Nature Communications, 2021, 12, ⟨10.1038/s41467-021-26689-8⟩
Article dans une revue hal-03436081v1
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New Synthetic Routes towards Soluble and Dissymmetric Triphenodioxazine Dyes Designed for Dye-Sensitized Solar Cells

 Yohann Nicolas , Fouzia Allama , Marc Lepeltier , Julien Massin , Frédéric Castet , et al.
Chemistry - A European Journal, 2014, 20 (13), pp.3678-3688. ⟨10.1002/chem.201303775⟩
Article dans une revue hal-00968910v1

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

 Gabriele d'Avino , Luca Muccioli , Frédéric Castet , Carl Poelking , Denis Andrienko , et al.
Journal of Physics: Condensed Matter, 2016, 28 (43), pp.Art. Nb. 433002. ⟨10.1088/0953-8984/28/43/433002⟩
Article dans une revue hal-01416586v1
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Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophene

 Yusuke Tsutsui , Guillaume Schweicher , Basab Chattopadhyay , Tsuneaki Sakurai , Jean-Baptiste Arlin , et al.
Advanced Materials, 2016, 28 (33), pp.7106-7114. ⟨10.1002/adma.201601285⟩
Article dans une revue hal-01399111v1
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Polymeres absorbant dans le proche infra-rouge

 Wissem Khelifi , Hussein Awada , Katarzyna Brymora , Sylvie Blanc , L Hirsch , et al.
Deuxièmes journées annuelles du GDR Organic Electronics for new eRA, Nov 2019, Paris, France
Poster de conférence hal-04186865v1

Theoretical design of molecular photo- and acido-triggered non-linear optical switches

 Frédéric Castet , Benoît Champagne , Jean-Luc Pozzo , Vincent Rodriguez , Fabien Mançois
Chemical Physics Letters, 2006, 427, pp.153-158. ⟨10.1016/j.cplett.2006.06.011⟩
Article dans une revue istex hal-00109312v1

TIPS-triphenodioxazineversusTIPS-pentacene: Enhancedelectronmobility for n-typeorganicfield-effecttransistors

 Yohann Nicolas , Frédéric Castet , Mélanie Devynck , Pascal Tardy , Lionel Hirsch , et al.
Organic Electronics, 2012, 13 (8), pp.1392-1400. ⟨10.1016/j.orgel.2012.04.010⟩
Article dans une revue istex hal-00700601v1

Experimental and theoretical determination of the first-order hyperpolarizability of photo- and acidochromic indolino[2,1-b]oxazolidines

 Frédéric Adamietz , Frédéric Castet , Benoît Champagne , Laurent Ducasse , Jean-Luc Pozzo , et al.
Synthetic Metals, 2005, 155, pp.393-397. ⟨10.1016/j.synthmet.2005.09.021⟩
Article dans une revue istex hal-00110225v1

Electric-field induced second harmonic generation responses of push–pull polyenic dyes: experimental and theoretical characterizations

 Carmelo Naim , Raphaël Vangheluwe , Isabelle Ledoux-Rak , Benoît Champagne , Claire Tonnelé , et al.
Physical Chemistry Chemical Physics, 2023, 25 (20), pp.13978-13988. ⟨10.1039/D3CP00750B⟩
Article dans une revue hal-04412559v1
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Comprehensive theoretical and experimental study of near infrared absorbing copolymers based on dithienosilole

 Katarzyna Brymora , Wissem Khelifi , Hussein Awada , Sylvie Blanc , Lionel Hirsch , et al.
Polymer Chemistry, 2020, 11, pp.3637-3643. ⟨10.1039/D0PY00330A⟩
Article dans une revue hal-02572195v1

Photophysics, Electrochemistry and Efficient Electrochemiluminescence of Trigonal Truxene‐Core Dyes

 Silvia Voci , Jean‐baptiste Verlhac , Federico Polo , Guillaume Clermont , Jonathan Daniel , et al.
Chemistry - A European Journal, 2020, 26 (38), pp.8407-8416. ⟨10.1002/chem.202000474⟩
Article dans une revue hal-03098733v1

Charge Dissociation at Interfaces between Discotic Liquid Crystals: The Surprising Role of Column Mismatch

 Julien Idé , Raphaël Méreau , Laurent Ducasse , Frédéric Castet , Harald Bock , et al.
Journal of the American Chemical Society, 2014, 136, pp. 2911-2920. ⟨10.1021/ja4114769⟩
Article dans une revue hal-00997368v1

Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

 Kornelia Pielak , Claire Tonnelé , Lionel Sanguinet , Elena Cariati , Stefania Righetto , et al.
Journal of Physical Chemistry C, 2018, 122 (45), pp.26160-26168. ⟨10.1021/acs.jpcc.8b08697⟩
Article dans une revue hal-02564573v1

Linear and Nonlinear Optical Properties of Tricyanopropylidene-Based Merocyanine Dyes: Synergistic Experimental and Theoretical Investigations

 Venkatakrishnan Parthasarathy , Ravindra Pandey , Puspendu Kumar Das , Frédéric Castet , Mireille Blanchard-Desce
ChemPhysChem, 2018, 19 (2), pp.187-197. ⟨10.1002/cphc.201701143⟩
Article dans une revue hal-02416866v1
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