PUBLICATIONS

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Behavior of potassium uranates in peroxo-carbonate solutions: dissolution and uranyl stabilisation. 19th International Conference on the Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere, Sep 2025, La Nouvelle Orléans, United States. <a target=\"_blank\" href=\"https://hal.science/hal-04918239v1\">⟨hal-04918239⟩</a>", "title_s":["Behavior of potassium uranates in peroxo-carbonate solutions: dissolution and uranyl stabilisation"], "authFullName_s":["Leonard Floarea","Charles Coubronne","Julien Margate","Gaëlle Milanole","Mehdi Arab","Valérie Vallet","Elise Berrier","Murielle Rivenet"], "halId_s":"hal-04918239", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"19th International Conference on the Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere, Sep 2025, La Nouvelle Orléans, United States", "citationFull_s":"Gema Raposo-Hernández, Rafael Pappalardo, Florent Réal, Valérie Vallet, Enrique Sanchez Marcos. The coordination chemistry of U(IV) in aqueous solutions: challenges and insights from spectroscopy and theory. 19th International Conference on the Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere, Sep 2025, La Nouvelle Orléans, United States. <a target=\"_blank\" href=\"https://hal.science/hal-04949431v1\">⟨hal-04949431⟩</a>", "title_s":["The coordination chemistry of U(IV) in aqueous solutions: challenges and insights from spectroscopy and theory"], "authFullName_s":["Gema Raposo-Hernández","Rafael Pappalardo","Florent Réal","Valérie Vallet","Enrique Sanchez Marcos"], "halId_s":"hal-04949431", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"safeND 2025: The third BASE research symposium, Sep 2025, Berlin, Germany", "citationFull_s":"Norbert Jordan, Isabelle Jessat, Nina Huittinen, Valérie Vallet, Florent Réal. Cm(III) and Eu(III) complexation with aqueous phosphates: an experimental, thermodynamic, \r\nand ab initio study. safeND 2025: The third BASE research symposium, Sep 2025, Berlin, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-05011147v1\">⟨hal-05011147⟩</a>", "title_s":["Cm(III) and Eu(III) complexation with aqueous phosphates: an experimental, thermodynamic, and ab initio study"], "authFullName_s":["Norbert Jordan","Isabelle Jessat","Nina Huittinen","Valérie Vallet","Florent Réal"], "halId_s":"hal-05011147", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"Sensors and Actuators A: Physical , 2025, 390, pp.116620. <a target=\"_blank\" href=\"https://dx.doi.org/10.1016/j.sna.2025.116620\">⟨10.1016/j.sna.2025.116620⟩</a>", "citationFull_s":"Ayan Mondal, Halima El Aadad, Hicham El Hamzaoui, Marc Douay, Franz Enno Morel, et al.. Highly stable 3D printed microsensors at optical fiber tips. 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Optics Express, 2025, 33 (8), pp.16987. <a target=\"_blank\" href=\"https://dx.doi.org/10.1364/OE.549317\">⟨10.1364/OE.549317⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-05028301v1\">⟨hal-05028301⟩</a>", "title_s":["Combined theoretical and experimental study of luminescence in Gd3+ -doped silica glass under ionizing radiation"], "authFullName_s":["Ismail Zghari","Adriana Morana","Hicham El Hamzaoui","Bruno Capoen","Andy Cassez","Youcef Ouerdane","Sylvain Girard","Aziz Boukenter","Franck Mady","Mourad Benabdesselam","Mohamed Bouazaoui"], "halId_s":"hal-05028301", "docType_s":"ART", "producedDateY_i":2025 },{ "citationRef_s":"2025", "citationFull_s":"Wilken Aldair Misael, Lucia Amidani, Juliane März, Elena F. Bazarkina, Kristina O. Kvashnina, et al.. Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry. 2025. <a target=\"_blank\" href=\"https://hal.science/hal-05027528v1\">⟨hal-05027528⟩</a>", "title_s":["Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry"], "authFullName_s":["Wilken Aldair Misael","Lucia Amidani","Juliane März","Elena F. Bazarkina","Kristina O. Kvashnina","Valérie Vallet","André Severo Pereira Gomes"], "halId_s":"hal-05027528", "docType_s":"UNDEFINED", "producedDateY_i":2025 },{ "citationRef_s":"Journal of Physical Chemistry A, 2025, 129 (13), pp.3085-3097. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpca.4c07539\">⟨10.1021/acs.jpca.4c07539⟩</a>", "citationFull_s":"Shuzhen Chen, Rawan Abouhaidar, Luca Artiglia, Huanyu Yang, Anthony Boucly, et al.. Influence of Surfactants with Differently Charged Headgroups on the Surface Propensity of Bromide. Journal of Physical Chemistry A, 2025, 129 (13), pp.3085-3097. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpca.4c07539\">⟨10.1021/acs.jpca.4c07539⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-05032464v1\">⟨hal-05032464⟩</a>", "title_s":["Influence of Surfactants with Differently Charged Headgroups on the Surface Propensity of Bromide"], "authFullName_s":["Shuzhen Chen","Rawan Abouhaidar","Luca Artiglia","Huanyu Yang","Anthony Boucly","Lucia Iezzi","Jérôme Philippe Gabathuler","Thorsten Bartels-Rausch","Céline Toubin","Markus Ammann"], "halId_s":"hal-05032464", "docType_s":"ART", "producedDateY_i":2025 },{ "citationRef_s":"IEEE Transactions on Nuclear Science, 2025, 72 (4), pp.1130-1136. <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/TNS.2024.3485092\">⟨10.1109/TNS.2024.3485092⟩</a>", "citationFull_s":"F. Fricano, R. Vallifuoco, D. Lambert, A. Morana, P. Paillet, et al.. Sensitivity Enhancement of Tapered Cerium-Doped Optical Fibers for Dosimetry Applications. IEEE Transactions on Nuclear Science, 2025, 72 (4), pp.1130-1136. <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/TNS.2024.3485092\">⟨10.1109/TNS.2024.3485092⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-05043224v1\">⟨hal-05043224⟩</a>", "title_s":["Sensitivity Enhancement of Tapered Cerium-Doped Optical Fibers for Dosimetry Applications"], "authFullName_s":["F. Fricano","R. Vallifuoco","D. Lambert","A. Morana","P. Paillet","H. El Hamzaoui","B. Capoen","M. Bouazaoui","E. Marin","E. Catalano","A. Minardo","Y. Ouerdane","A. Boukenter","S. Girard"], "halId_s":"hal-05043224", "docType_s":"ART", "producedDateY_i":2025 },{ "citationRef_s":"IEEE Transactions on Nuclear Science, 2025, pp.1-1. <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/TNS.2025.3553065\">⟨10.1109/TNS.2025.3553065⟩</a>", "citationFull_s":"F. Fricano, A. Morana, C. Hoehr, C. Campanella, C. Bélanger-Champagne, et al.. Pre-irradiation Influence on Proton Radioluminescence Responses of Sol-gel Optical Fibers. IEEE Transactions on Nuclear Science, 2025, pp.1-1. <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/TNS.2025.3553065\">⟨10.1109/TNS.2025.3553065⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-05018325v1\">⟨hal-05018325⟩</a>", "title_s":["Pre-irradiation Influence on Proton Radioluminescence Responses of Sol-gel Optical Fibers"], "authFullName_s":["F. Fricano","A. Morana","C. Hoehr","C. Campanella","C. Bélanger-Champagne","M. Trinczek","D. Lambert","P. Paillet","H. El Hamzaoui","B. Capoen","M. Bouazaoui","A. Boukenter","E. Marin","Y. Ouerdane","S. 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Le Naour, Hanna Oher, Titouan Aubert, Pier Lorenzo Solari, et al.. Experimental Characterization and Theoretical Modelling of X-ray Absorption Spectra of Protactinium(V) Complexes. 54èmes Journées des Actinides, Mar 2025, Annecy, France. <a target=\"_blank\" href=\"https://hal.science/hal-05000861v1\">⟨hal-05000861⟩</a>", "title_s":["Experimental Characterization and Theoretical Modelling of X-ray Absorption Spectra of Protactinium(V) Complexes"], "authFullName_s":["Tamara Shaaban","C. Le Naour","Hanna Oher","Titouan Aubert","Pier Lorenzo Solari","Tim Burrow","Myrtille O.J.Y. Hunault","André Severo Pereira Gomes","Florent Réal","Valérie Vallet","Melody Maloubier"], "halId_s":"hal-05000861", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"54èmes Journées des Actinides, Mar 2025, Annecy, France", "citationFull_s":"Gema Raposo-Hernández, Rafal Pappalardo, Enrique Sanchez Marcos, Florent Réal, Valérie Vallet. The Coordination Chemistry of U4+ in Aqueous Solutions: Challenges and Insights from Spectroscopy and Theory. 54èmes Journées des Actinides, Mar 2025, Annecy, France. <a target=\"_blank\" href=\"https://hal.science/hal-05000885v1\">⟨hal-05000885⟩</a>", "title_s":["The Coordination Chemistry of U4+ in Aqueous Solutions: Challenges and Insights from Spectroscopy and Theory"], "authFullName_s":["Gema Raposo-Hernández","Rafal Pappalardo","Enrique Sanchez Marcos","Florent Réal","Valérie Vallet"], "halId_s":"hal-05000885", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"54èmes Journées des Actinides, Mar 2025, Annecy, France", "citationFull_s":"Melody Maloubier, Tamara Shaaban, Hanna Oher, Florent Réal, Valérie Vallet, et al.. Complexation of Protactinium(V) with Chlorides in aqueous solution: Thermodynamic and Structural Insights. 54èmes Journées des Actinides, Mar 2025, Annecy, France. <a target=\"_blank\" href=\"https://hal.science/hal-05000871v1\">⟨hal-05000871⟩</a>", "title_s":["Complexation of Protactinium(V) with Chlorides in aqueous solution: Thermodynamic and Structural Insights"], "authFullName_s":["Melody Maloubier","Tamara Shaaban","Hanna Oher","Florent Réal","Valérie Vallet","Bruno Siberchicot","C. Le Naour"], "halId_s":"hal-05000871", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"IEEE Sensors Journal, 2025, 25 (9), pp.15065615070. <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/JSEN.2025.3549154\">⟨10.1109/JSEN.2025.3549154⟩</a>", "citationFull_s":"Selyan Acid, Fiammetta Fricano, Adriana Morana, Nourdine Kerboub, Marine Aubry, et al.. Temperature Impact on a Radioluminescent Silica-based Optical Fiber Dosimeter for Space Applications. 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Journées de Spectroscopie Moléculaire 2025, Mar 2025, Grenoble, France. <a target=\"_blank\" href=\"https://hal.science/hal-04997750v1\">⟨hal-04997750⟩</a>", "title_s":["Millimeter Wave Fourier Transform Spectroscopy of Laser Photolysis Products"], "authFullName_s":["Ning Chen","Brian Hays","Eugene Alekseev","Roman Motiyenko","Laurent Margulès","Stephane Bailleux"], "halId_s":"hal-04997750", "docType_s":"COMM", "producedDateY_i":2025 },{ "citationRef_s":"ACS photonics, 2025, 12 (2), pp.564-569. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acsphotonics.4c02019\">⟨10.1021/acsphotonics.4c02019⟩</a>", "citationFull_s":"Christof Helfrich, Michael H Frosz, Francesco Tani. Giant Helical Dichroism in Twisted Hollow-Core Photonic Crystal Fibers. ACS photonics, 2025, 12 (2), pp.564-569. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acsphotonics.4c02019\">⟨10.1021/acsphotonics.4c02019⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-05067879v1\">⟨hal-05067879⟩</a>", "title_s":["Giant Helical Dichroism in Twisted Hollow-Core Photonic Crystal Fibers"], "authFullName_s":["Christof Helfrich","Michael H Frosz","Francesco Tani"], "halId_s":"hal-05067879", "docType_s":"ART", "producedDateY_i":2025 },{ "citationRef_s":"Optics and Laser Technology, 2025, 181, pp.111855. <a target=\"_blank\" href=\"https://dx.doi.org/10.1016/j.optlastec.2024.111855\">⟨10.1016/j.optlastec.2024.111855⟩</a>", "citationFull_s":"Rémy Bernard, Aymeric Pastre, Anne Griboval, Vincent Andrieux, Kilian Técher, et al.. High-temperature resistant boron nitride-based coatings for specialty silica optical fibers. 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Multipartite quantum correlated bright frequency combs. 2025. <a target=\"_blank\" href=\"https://hal.science/hal-04917183v1\">⟨hal-04917183⟩</a>", "title_s":["Multipartite quantum correlated bright frequency combs"], "authFullName_s":["Adrien Bensemhoun","Silvia Cassina","Carlos Gonzalez-Arciniegas","Mohamed Fauzi Melalkia","Giuseppe Patera","Jonathan Faugier-Tovar","Quentin Wilmart","Ségolène Olivier","Alessandro Zavatta","Anthony Martin","Jean Etesse","Laurent Labonté","Olivier Pfister","Virginia D'Auria","Sébastien Tanzilli"], "halId_s":"hal-04917183", "docType_s":"UNDEFINED", "producedDateY_i":2025 },{ "citationRef_s":"Photonics West, Jan 2025, San Francisco CA, United States", "citationFull_s":"Germain Bourcier, Safia Mohand Ousaid, Stéphane Balac, Julien Lumeau, Antonin Moreau, et al.. Soliton self-injection locking to a fiber Fabry-Perot resonator with sub-100 mW pump power. 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JETSCREEN Program, Impact of fuel composition on aeronautic emissions: Laboratory experiments. Conférence Européenne sur les Aérosols, Aug 2019, Göteborg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-02396667v1\">⟨hal-02396667⟩</a>", "title_s":["JETSCREEN Program, Impact of fuel composition on aeronautic emissions: Laboratory experiments"], "authFullName_s":["Antoine Bethier","David Delhaye","Ismael K. Ortega","Mickaël Sicard","Cristian Focsa"], "halId_s":"hal-02396667", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"European Aerosol Conference, Aug 2019, Göthenburg, Sweden", "citationFull_s":"Antoine Roose, Céline Toubin, Sébastien Dusanter, Véronique Riffault, Denis Duflot. HO2 accommodation on dicarboxylic acid aerosols: a combined experimental and theoretical study. European Aerosol Conference, Aug 2019, Göthenburg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-03124201v1\">⟨hal-03124201⟩</a>", "title_s":["HO2 accommodation on dicarboxylic acid aerosols: a combined experimental and theoretical study"], "authFullName_s":["Antoine Roose","Céline Toubin","Sébastien Dusanter","Véronique Riffault","Denis Duflot"], "halId_s":"hal-03124201", "docType_s":"POSTER", "producedDateY_i":2019 },{ "citationRef_s":"European Aerosol Conference 2019, Aug 2019, Göteborg, Sweden", "citationFull_s":"Irimiea C., Faccinetto A., Mercier X., Ortega I.-K., Nuns N., et al.. Laboratory flames under investigation: finding trends in soot nucleation and growth when secondary ion mass spectrometry meets statistical analysis. European Aerosol Conference 2019, Aug 2019, Göteborg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-04530531v1\">⟨hal-04530531⟩</a>", "title_s":["Laboratory flames under investigation: finding trends in soot nucleation and growth when secondary ion mass spectrometry meets statistical analysis"], "authFullName_s":["Irimiea C.","Faccinetto A.","Mercier X.","Ortega I.-K.","Nuns N.","Therssen E.","Desgroux P.","Focsa C."], "halId_s":"hal-04530531", "docType_s":"POSTER", "producedDateY_i":2019 },{ "citationRef_s":"Congrès des Chimistes Théoriciens d’Expression Latine (CHITEL), Aug 2019, Montréal, Canada", "citationFull_s":"Céline Toubin. Toward a molecular level understanding of heterogeneous processes relevant for the atmosphere or the interstellar medium. Congrès des Chimistes Théoriciens d’Expression Latine (CHITEL), Aug 2019, Montréal, Canada. <a target=\"_blank\" href=\"https://hal.science/hal-02273766v1\">⟨hal-02273766⟩</a>", "title_s":["Toward a molecular level understanding of heterogeneous processes relevant for the atmosphere or the interstellar medium"], "authFullName_s":["Céline Toubin"], "halId_s":"hal-02273766", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"Conférence Européenne sur les Aérosols, Aug 2019, Göteborg, Sweden", "citationFull_s":"David Delhaye, Ismael K. Ortega, Antoine Bethier, Mickaël Sicard, Axel Vicent, et al.. JETSCREEN Program -Impact of fuel composition on aeronautic emissions: Combustor rig test. Conférence Européenne sur les Aérosols, Aug 2019, Göteborg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-02396733v1\">⟨hal-02396733⟩</a>", "title_s":["JETSCREEN Program -Impact of fuel composition on aeronautic emissions: Combustor rig test"], "authFullName_s":["David Delhaye","Ismael K. Ortega","Antoine Bethier","Mickaël Sicard","Axel Vicent","Alaric Vandestock","Cristian Focsa","Olivier Penanhoat"], "halId_s":"hal-02396733", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"Conférence Européenne sur les Aérosols, Aug 2019, Göteborg, Sweden", "citationFull_s":"Cornélia Irimiea, Ismael K. Ortega, David Delhaye, Antoine Berthier, Linhdan Ngo, et al.. Optical properties of soot particles emitted by standard and alternative aviation fuels. Conférence Européenne sur les Aérosols, Aug 2019, Göteborg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-02396795v1\">⟨hal-02396795⟩</a>", "title_s":["Optical properties of soot particles emitted by standard and alternative aviation fuels"], "authFullName_s":["Cornélia Irimiea","Ismael K. Ortega","David Delhaye","Antoine Berthier","Linhdan Ngo","Dumitru Duca","Yvain Carpentier","Mickaël Sicard","Bruno Raepsaet","Ajmal Khan Mohamed","Cristian Focsa","Eric Therssen","Frédéric Ser"], "halId_s":"hal-02396795", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"The Journal of Chemical Physics, 2019, 151 (7), <a target=\"_blank\" href=\"https://dx.doi.org/10.1063/1.5114901\">⟨10.1063/1.5114901⟩</a>", "citationFull_s":"Jacques Desmarais, Jean-Pierre Flament, Alessandro Erba. Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory. The Journal of Chemical Physics, 2019, 151 (7), <a target=\"_blank\" href=\"https://dx.doi.org/10.1063/1.5114901\">⟨10.1063/1.5114901⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-04699215v1\">⟨hal-04699215⟩</a>", "title_s":["Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory"], "authFullName_s":["Jacques Desmarais","Jean-Pierre Flament","Alessandro Erba"], "halId_s":"hal-04699215", "docType_s":"ART", "producedDateY_i":2019 },{ "citationRef_s":"Journal of Physical Chemistry A, 2019, 123 (36), pp.7683-7692. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpca.9b04699\">⟨10.1021/acs.jpca.9b04699⟩</a>", "citationFull_s":"Alejandro Rivero Santamaría, Pascal Larregaray, Laurent Bonnet, Fabrice Dayou, Maurice Monnerville. The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction. Journal of Physical Chemistry A, 2019, 123 (36), pp.7683-7692. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpca.9b04699\">⟨10.1021/acs.jpca.9b04699⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02321818v2\">⟨hal-02321818v2⟩</a>", "title_s":["The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction"], "authFullName_s":["Alejandro Rivero Santamaría","Pascal Larregaray","Laurent Bonnet","Fabrice Dayou","Maurice Monnerville"], "halId_s":"hal-02321818", "docType_s":"ART", "producedDateY_i":2019 },{ "citationRef_s":"Frontiers in Chemistry, 2019, 7, pp.576. <a target=\"_blank\" href=\"https://dx.doi.org/10.3389/fchem.2019.00576\">⟨10.3389/fchem.2019.00576⟩</a>", "citationFull_s":"Ramón Lorenzo Panadés-Barrueta, Emilio Martinez-Nunez, Daniel Peláez. Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations. Frontiers in Chemistry, 2019, 7, pp.576. <a target=\"_blank\" href=\"https://dx.doi.org/10.3389/fchem.2019.00576\">⟨10.3389/fchem.2019.00576⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02197291v1\">⟨hal-02197291⟩</a>", "title_s":["Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations"], "authFullName_s":["Ramón Lorenzo Panadés-Barrueta","Emilio Martinez-Nunez","Daniel Peláez"], "halId_s":"hal-02197291", "docType_s":"ART", "producedDateY_i":2019 },{ "citationRef_s":"International Journal of Hyperthermia, 2019, 36 (1), pp.721-729. <a target=\"_blank\" href=\"https://dx.doi.org/10.1080/02656736.2019.1633478\">⟨10.1080/02656736.2019.1633478⟩</a>", "citationFull_s":"M. Ladjimi, D. Labavić, M. Guilbert, F. Anquez, Emmanuel Courtade, et al.. Dynamical thermal dose models and dose time-profile effects. International Journal of Hyperthermia, 2019, 36 (1), pp.721-729. <a target=\"_blank\" href=\"https://dx.doi.org/10.1080/02656736.2019.1633478\">⟨10.1080/02656736.2019.1633478⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02334723v1\">⟨hal-02334723⟩</a>", "title_s":["Dynamical thermal dose models and dose time-profile effects"], "authFullName_s":["M. Ladjimi","D. Labavić","M. Guilbert","F. Anquez","Emmanuel Courtade","Benjamin Pfeuty"], "halId_s":"hal-02334723", "docType_s":"ART", "producedDateY_i":2019 },{ "citationRef_s":"ISTCP 2019 - 10th Triennial Congress of the International Society for Theoretical Chemical Physics, Jul 2019, Tromsø, Norway", "citationFull_s":"Yassine Bouchafra, Loïc Halbert, Florent Réal, Valérie Vallet, François Virot, et al.. Relativistic equation of motion coupled cluster based on four-compoment Hamiltonians. ISTCP 2019 - 10th Triennial Congress of the International Society for Theoretical Chemical Physics, Jul 2019, Tromsø, Norway. <a target=\"_blank\" href=\"https://hal.science/hal-02157296v1\">⟨hal-02157296⟩</a>", "title_s":["Relativistic equation of motion coupled cluster based on four-compoment Hamiltonians","Methods based on the coupled cluster ansatz and employing four-component Hamiltonians are particularly appealing in treating the electronic structure of molecules containing heavy centers, due to their ecient treatment of electron correlation and spin-orbit coupling (SOC) [1] on the same footing, up to and including the superheavy elements, as well as to serve as benchmark to more approximate relativistic Hamiltonians, notably those where SOC is treated more approximately (see for instance [2] and references therein).In this contribution we discuss our recent implementation [3] in the Dirac program [4] of the equation of motion coupled cluster method for excitation energies (EOM-EE-CCSD), single electron attachment (EOM-EA-CCSD) and single electron detachment (EOM-IPCCSD). We showcase the method by addressing the determination of the low-lying statesof oxide radicals of group 17 elements (XO, X = Cl, Br, I, At, Ts), the excited and ionized states of the PuO2 molecule in the gas phase [5], as well as the ionization energies of halide ions in water droplets [6]. In the latter case, we use the frozen density embedding approach to combine EOM-IP-CCSD (for the halogens) and the SAOP model potential (for the water molecules) to determine the ionization energies for the complete halide droplet system, while sampling different nuclear configurations with snapshots obtained from classical molecular dynamics simulations with polarizable force fields [7].This work has been supported by the French national agency for research, contract ANR-11-LABX-0005 chemical and physical properties of the atmosphere (CaPPA).References1. T. Fleig, Chem. Phys., 2 (2012) 395 ; T. Saue, ChemPhysChem, 12 (2011) 30772. E. Epifanovsky et al, J. Phys. Chem., 143 (2015) 064102 ; Z. Cao, Z. Li, F. Wang,W. Liu, Phys. Chem. Chem. Phys., 19 (2017) 3713 ; L. Cheng, F. Wang, J. F. Stanton,J. Gauss, J. Phys. Chem., 148 (2018) 0441083. A. Shee, T. Saue, L. Visscher, A. S. P. Gomes, J. Phys. Chem., 149 (2018) 1741134. http://diracprogram.org5. S. Kervazo, F. Real, F. Virot, A. S. P. Gomes, V. Vallet arXiv:1906.03157 (2019)6. Y. Bouchafra, A. Shee, F. Real, V. Vallet, A. S. P. Gomes Phys. Rev. Lett., 121 (2018)2660017. F. Real et al, J. Chem. Phys., 144, (2016) 124513"], "authFullName_s":["Yassine Bouchafra","Loïc Halbert","Florent Réal","Valérie Vallet","François Virot","Avijit Shee","Trond Saue","Lucas Visscher","André Severo Pereira Gomes"], "halId_s":"hal-02157296", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"2019 21st International Conference on Transparent Optical Networks (ICTON), Jul 2019, Angers, France. pp.1-4, <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/ICTON.2019.8840180\">⟨10.1109/ICTON.2019.8840180⟩</a>", "citationFull_s":"Walter Belardi, Laurent Bigot, Pier Sazio. How to Amplify Light in an Unfilled Hollow Core Optical Fiber. 2019 21st International Conference on Transparent Optical Networks (ICTON), Jul 2019, Angers, France. pp.1-4, <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/ICTON.2019.8840180\">⟨10.1109/ICTON.2019.8840180⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-03030027v1\">⟨hal-03030027⟩</a>", "title_s":["How to Amplify Light in an Unfilled Hollow Core Optical Fiber"], "authFullName_s":["Walter Belardi","Laurent Bigot","Pier Sazio"], "halId_s":"hal-03030027", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France", "citationFull_s":"Valérie Vallet, Florent Réal, André Severo Pereira Gomes. Modélisation moléculaire pour les radioéléments de la phase gazeuse à la phase solvatée. 25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France. <a target=\"_blank\" href=\"https://hal.science/hal-02020843v1\">⟨hal-02020843⟩</a>", "title_s":["Modélisation moléculaire pour les radioéléments de la phase gazeuse à la phase solvatée"], "authFullName_s":["Valérie Vallet","Florent Réal","André Severo Pereira Gomes"], "halId_s":"hal-02020843", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France", "citationFull_s":"Florent Réal, Eléonor Acher, Michel Masella, Valérie Vallet. Modélisation réaliste de la spectroscopie électronique du Pa(IV) en solution aqueuse. 25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France. <a target=\"_blank\" href=\"https://hal.science/hal-02142438v1\">⟨hal-02142438⟩</a>", "title_s":["Modélisation réaliste de la spectroscopie électronique du Pa(IV) en solution aqueuse"], "authFullName_s":["Florent Réal","Eléonor Acher","Michel Masella","Valérie Vallet"], "halId_s":"hal-02142438", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (27), pp.13171-13172. <a target=\"_blank\" href=\"https://dx.doi.org/10.1073/pnas.1907751116\">⟨10.1073/pnas.1907751116⟩</a>", "citationFull_s":"Alessandro Furlan, Marine Jacquier, Aurore Woller, Laurent Héliot, Hélène Duez, et al.. Mathematical models converge on PGC1α as the key metabolic integrator of SIRT1 and AMPK regulation of the circadian clock. Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (27), pp.13171-13172. <a target=\"_blank\" href=\"https://dx.doi.org/10.1073/pnas.1907751116\">⟨10.1073/pnas.1907751116⟩</a>. <a target=\"_blank\" href=\"https://inserm.hal.science/inserm-02264503v1\">⟨inserm-02264503⟩</a>", "title_s":["Mathematical models converge on PGC1α as the key metabolic integrator of SIRT1 and AMPK regulation of the circadian clock"], "authFullName_s":["Alessandro Furlan","Marine Jacquier","Aurore Woller","Laurent Héliot","Hélène Duez","Bart Staels","Marc Lefranc"], "halId_s":"inserm-02264503", "docType_s":"ART", "producedDateY_i":2019 },{ "citationRef_s":"Conseil scientifique du Labex CaPPA, Jul 2019, Villeneuve d'Ascq, France", "citationFull_s":"Antoine Roose, Sébastien Dusanter, Céline Toubin, Denis Duflot, Véronique Riffault. Combined theoretical and experimental investigations of peroxy radical uptake on organic aerosols. Conseil scientifique du Labex CaPPA, Jul 2019, Villeneuve d'Ascq, France. <a target=\"_blank\" href=\"https://hal.science/hal-02964837v1\">⟨hal-02964837⟩</a>", "title_s":["Combined theoretical and experimental investigations of peroxy radical uptake on organic aerosols"], "authFullName_s":["Antoine Roose","Sébastien Dusanter","Céline Toubin","Denis Duflot","Véronique Riffault"], "halId_s":"hal-02964837", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"EUCASS 2019, Jul 2019, Madrid, Spain", "citationFull_s":"Cornelia Irimiea, Linhdan Ngo, Antoine Berthier, Ismael Ortega, David Delhaye, et al.. Characterization of soot particles in aeronautic combustion systems: development and implementation of optical techniques. EUCASS 2019, Jul 2019, Madrid, Spain. <a target=\"_blank\" href=\"https://hal.science/hal-04847016v1\">⟨hal-04847016⟩</a>", "title_s":["Characterization of soot particles in aeronautic combustion systems: development and implementation of optical techniques"], "authFullName_s":["Cornelia Irimiea","Linhdan Ngo","Antoine Berthier","Ismael Ortega","David Delhaye","Yvain Carpentier","Eric Therssen","Cristian Focsa","Nicolas Fdida","Arnaud Ristori","Axel Vincent-Randonnier","Ajmal Khan Mohamed"], "halId_s":"hal-04847016", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"The XIX Symposium on High Resolution Molecular Spectroscopy, Jul 2019, Nizhny Novgorod, Russia", "citationFull_s":"A Roucou, Atef Jabri, Daniele Fontanari, Pierre Asselin, M. Goubet, et al.. Conformational analysis of methoxyphenol isomers using high-resolution spectroscopy and quantum chemistry calculations.. The XIX Symposium on High Resolution Molecular Spectroscopy, Jul 2019, Nizhny Novgorod, Russia. <a target=\"_blank\" href=\"https://hal.science/hal-02397271v1\">⟨hal-02397271⟩</a>", "title_s":["Conformational analysis of methoxyphenol isomers using high-resolution spectroscopy and quantum chemistry calculations."], "authFullName_s":["A Roucou","Atef Jabri","Daniele Fontanari","Pierre Asselin","M. Goubet","Guillaume Dhont","Gaël Mouret","Robin Bocquet","Francis Hindle","A. Cuisset"], "halId_s":"hal-02397271", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"TSRC Workshop Telluride, Jun 2019, Telluride (CO), United States", "citationFull_s":"Quang-Du Le, Carla Thais Rodriguez Machine, Cristian Focsa, Yvain Carpentier, Claire Pirim, et al.. Influence of crystallization parameters on guest's selectivity and structures in CO2-based clathrates and semi-clathrates. TSRC Workshop Telluride, Jun 2019, Telluride (CO), United States. <a target=\"_blank\" href=\"https://hal.science/hal-04530076v1\">⟨hal-04530076⟩</a>", "title_s":["Influence of crystallization parameters on guest's selectivity and structures in CO2-based clathrates and semi-clathrates"], "authFullName_s":["Quang-Du Le","Carla Thais Rodriguez Machine","Cristian Focsa","Yvain Carpentier","Claire Pirim","Bertrand Chazallon"], "halId_s":"hal-04530076", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"CLEO Europe-ECQE, Jun 2019, Munich, Germany", "citationFull_s":"Abdelkrim Bendahmane, Gang Xu, Matteo Conforti, Alexandre Kudlinski, Arnaud Mussot, et al.. Dynamics of photon fluid flows driven by optical pistons. CLEO Europe-ECQE, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392829v1\">⟨hal-02392829⟩</a>", "title_s":["Dynamics of photon fluid flows driven by optical pistons"], "authFullName_s":["Abdelkrim Bendahmane","Gang Xu","Matteo Conforti","Alexandre Kudlinski","Arnaud Mussot","Stefano Trillo"], "halId_s":"hal-02392829", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"European Quantum Electronics Conference, Jun 2019, Munich, Germany. pp.1-1, <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/cleoe-eqec.2019.8872934\">⟨10.1109/cleoe-eqec.2019.8872934⟩</a>", "citationFull_s":"Alexandre Lebel, Alexey Tikan, Stéphane Randoux, Pierre Suret, François Copie. Single-Shot Time-Resolved Phase and Intensity Measurement of Breathers in the Nonlinear Stage of Modulation Instability. European Quantum Electronics Conference, Jun 2019, Munich, Germany. pp.1-1, <a target=\"_blank\" href=\"https://dx.doi.org/10.1109/cleoe-eqec.2019.8872934\">⟨10.1109/cleoe-eqec.2019.8872934⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-04402081v1\">⟨hal-04402081⟩</a>", "title_s":["Single-Shot Time-Resolved Phase and Intensity Measurement of Breathers in the Nonlinear Stage of Modulation Instability"], "authFullName_s":["Alexandre Lebel","Alexey Tikan","Stéphane Randoux","Pierre Suret","François Copie"], "halId_s":"hal-04402081", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"CLEO Europe-EQEC, Jun 2019, Munich, Germany", "citationFull_s":"Florent Bessin, Corentin Naveau, Matteo Conforti, Pascal Szriftgiser, Alexandre Kudlinski, et al.. Phase and power experimental study of seeded modulation instability in passive fiber ring cavities. CLEO Europe-EQEC, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392770v1\">⟨hal-02392770⟩</a>", "title_s":["Phase and power experimental study of seeded modulation instability in passive fiber ring cavities"], "authFullName_s":["Florent Bessin","Corentin Naveau","Matteo Conforti","Pascal Szriftgiser","Alexandre Kudlinski","Arnaud Mussot"], "halId_s":"hal-02392770", "docType_s":"COMM", "producedDateY_i":2019 },{ "citationRef_s":"CLEO Europe-EQEC, Jun 2019, Munich, Germany", "citationFull_s":"Alexandre Kudlinski, A. Bendahmane, O. Vanvincq, C Mas Arabi, Arnaud Mussot, et al.. Impact of higher-order dispersion on geometric parametric instability in GRIN multimode fibers. CLEO Europe-EQEC, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392802v1\">⟨hal-02392802⟩</a>", "title_s":["Impact of higher-order dispersion on geometric parametric instability in GRIN multimode fibers"], "authFullName_s":["Alexandre Kudlinski","A. 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