Aurélien Moncomble
Maître de conférences-HDR
CNU : SECTION 31 - CHIMIE THEORIQUE, PHYSIQUE, ANALYTIQUE
Laboratoire / équipe
Publications
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"citationFull_s":"Jessy Elias, Luc Labarriere, Alessandro Faccinetto, Aurélien Moncomble, Jean-Paul Cornard, et al.. Advanced characterization of soot precursors via excitation emission matrices fluorescence spectroscopy and molecular modeling. <i>Carbon</i>, 2024, Carbon, 228, pp.119355. <a target=\"_blank\" href=\"https://dx.doi.org/10.1016/j.carbon.2024.119355\">⟨10.1016/j.carbon.2024.119355⟩</a>. <a target=\"_blank\" href=\"https://hal.univ-lille.fr/hal-04676344v1\">⟨hal-04676344⟩</a>",
"title_s":["Advanced characterization of soot precursors via excitation emission matrices fluorescence spectroscopy and molecular modeling"],
"authFullName_s":["Jessy Elias","Luc Labarriere","Alessandro Faccinetto","Aurélien Moncomble","Jean-Paul Cornard","Xavier Mercier"],
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"citationRef_s":"<i>European Journal of Organic Chemistry</i>, 2024, Eur. J. Org. Chem., 27, <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/ejoc.202400025\">⟨10.1002/ejoc.202400025⟩</a>",
"citationFull_s":"Nathan Martin, Aurélien Moncomble, Lydie Pelinski, Eric Deniau, Till Bousquet. Base- and Visible-Light-Promoted Formation of 3-Benzyl-3-Methoxyisoindolin-1-one. <i>European Journal of Organic Chemistry</i>, 2024, Eur. J. Org. Chem., 27, <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/ejoc.202400025\">⟨10.1002/ejoc.202400025⟩</a>. <a target=\"_blank\" href=\"https://hal.univ-lille.fr/hal-04625222v1\">⟨hal-04625222⟩</a>",
"title_s":["Base- and Visible-Light-Promoted Formation of 3-Benzyl-3-Methoxyisoindolin-1-one"],
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"citationRef_s":"<i>Journal of Computational Chemistry</i>, 2024, Journal of Computational Chemistry, <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/jcc.27382\">⟨10.1002/jcc.27382⟩</a>",
"citationFull_s":"Aurélien Moncomble, Jean-Paul Cornard. Orthogonal effect of exchange and correlation parameters in density functional theory to compute geometric and spectroscopic quantities.. <i>Journal of Computational Chemistry</i>, 2024, Journal of Computational Chemistry, <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/jcc.27382\">⟨10.1002/jcc.27382⟩</a>. <a target=\"_blank\" href=\"https://hal.univ-lille.fr/hal-04601849v1\">⟨hal-04601849⟩</a>",
"title_s":["Orthogonal effect of exchange and correlation parameters in density functional theory to compute geometric and spectroscopic quantities."],
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"citationRef_s":"<i>Small</i>, 2024, Small, pp.e2400265. <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/smll.202400265\">⟨10.1002/smll.202400265⟩</a>",
"citationFull_s":"Pedro Henrique Morais Andrade, Jeremy Dhainaut, Christophe Volkringer, Thierry Loiseau, Aurélien Moncomble, et al.. Stability of Iodine Species Trapped in Titanium-Based MOFs: MIL-125 and MIL-125_NH <sub>2</sub>.. <i>Small</i>, 2024, Small, pp.e2400265. <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/smll.202400265\">⟨10.1002/smll.202400265⟩</a>. <a target=\"_blank\" href=\"https://hal.univ-lille.fr/hal-04582684v1\">⟨hal-04582684⟩</a>",
"title_s":["Stability of Iodine Species Trapped in Titanium-Based MOFs: MIL-125 and MIL-125_NH <sub>2</sub>."],
"authFullName_s":["Pedro Henrique Morais Andrade","Jeremy Dhainaut","Christophe Volkringer","Thierry Loiseau","Aurélien Moncomble","Matthieu Hureau","Alain Moissette"],
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"citationRef_s":"<i>The European Physical Journal. Special Topics</i>, 2023, 232 (13), pp.2145-2156. <a target=\"_blank\" href=\"https://dx.doi.org/10.1140/epjs/s11734-023-00813-9\">⟨10.1140/epjs/s11734-023-00813-9⟩</a>",
"citationFull_s":"Lucie Duplouy, Matthieu Hureau, Aurélien Moncomble, Svetlana Mintova, Olivier Gardoll, et al.. Ultrafast formation of exciplex species in dicyanoanthracene ZSM-5 revealed by transient emission and fs IR vibrational spectroscopy. <i>The European Physical Journal. Special Topics</i>, 2023, 232 (13), pp.2145-2156. <a target=\"_blank\" href=\"https://dx.doi.org/10.1140/epjs/s11734-023-00813-9\">⟨10.1140/epjs/s11734-023-00813-9⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-04295919v1\">⟨hal-04295919⟩</a>",
"title_s":["Ultrafast formation of exciplex species in dicyanoanthracene ZSM-5 revealed by transient emission and fs IR vibrational spectroscopy"],
"authFullName_s":["Lucie Duplouy","Matthieu Hureau","Aurélien Moncomble","Svetlana Mintova","Olivier Gardoll","Alain Moissette","Vincent de Waele"],
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"citationRef_s":"<i>Creating New Bonds in Physical Organic chemistry</i>, Nov 2022, Fréjus, France",
"citationFull_s":"Nathan Martin, Aurélien Moncomble, Lydie Pelinski, Till Bousquet, Eric Deniau. Formation d’isoindolinones à partir de sels de diazoniums. <i>Creating New Bonds in Physical Organic chemistry</i>, Nov 2022, Fréjus, France. <a target=\"_blank\" href=\"https://hal.science/hal-03933629v1\">⟨hal-03933629⟩</a>",
"title_s":["Formation d’isoindolinones à partir de sels de diazoniums"],
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"citationRef_s":"<i>Green Chemistry</i>, 2022, 24 (19), pp.7388-7394. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/D2GC02326A\">⟨10.1039/D2GC02326A⟩</a>",
"citationFull_s":"Elise Leclercq, Aurélien Moncomble, Céline Debavelaere, Mathieu Beaucamp, Maël Penhoat, et al.. Electrolyte-free electrochemical C–H trifluoromethylation of 2-pyridones under batch and flow conditions. <i>Green Chemistry</i>, 2022, 24 (19), pp.7388-7394. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/D2GC02326A\">⟨10.1039/D2GC02326A⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-03861795v1\">⟨hal-03861795⟩</a>",
"title_s":["Electrolyte-free electrochemical C–H trifluoromethylation of 2-pyridones under batch and flow conditions"],
"authFullName_s":["Elise Leclercq","Aurélien Moncomble","Céline Debavelaere","Mathieu Beaucamp","Maël Penhoat","Laëtitia Chausset-Boissarie"],
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"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Jean-Paul Cornard. Étude par DFT de la structure électronique de dimères de pyrène. <i>Rencontres des Chimistes Théoriciens Francophones (RFCT 2022)</i>, Jun 2022, Bordeaux, France. <a target=\"_blank\" href=\"https://rctf2022.sciencesconf.org/\"></a>. <a target=\"_blank\" href=\"https://hal.science/hal-03933614v1\">⟨hal-03933614⟩</a>",
"title_s":["Étude par DFT de la structure électronique de dimères de pyrène"],
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"citationRef_s":"<i>11th International Meeting on Atomic and Molecular Physics and Chemistry</i>, Jun 2022, Prague (CZ), Czech Republic",
"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Xavier Mercier, Jean-Paul Cornard. Studying with DFT the electronic excitations of soot precursors. <i>11th International Meeting on Atomic and Molecular Physics and Chemistry</i>, Jun 2022, Prague (CZ), Czech Republic. <a target=\"_blank\" href=\"https://hal.science/hal-03933602v1\">⟨hal-03933602⟩</a>",
"title_s":["Studying with DFT the electronic excitations of soot precursors"],
"authFullName_s":["Luc Labarrière","Aurélien Moncomble","Xavier Mercier","Jean-Paul Cornard"],
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"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Xavier Mercier, Jean-Paul Cornard. Electronic absorption energy and structure relationship in polycyclic aromatic hydrocarbon dimers. <i>Rencontres de Chimie-Physique</i>, Sep 2021, Sète, France. <a target=\"_blank\" href=\"https://hal.science/hal-03417438v1\">⟨hal-03417438⟩</a>",
"title_s":["Electronic absorption energy and structure relationship in polycyclic aromatic hydrocarbon dimers"],
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"citationRef_s":"<i>IUPAC CCCE 2021</i>, Aug 2021, Ottawa (virtual), Canada",
"citationFull_s":"Lucas Mangold, Hubert Halleux, Aurélien Moncomble, Gérard Cote, Alexandre Chagnes. The speciation of titanium(IV) in concentrated phosphoric acid : A spectroscopical and TD-DFT study.. <i>IUPAC CCCE 2021</i>, Aug 2021, Ottawa (virtual), Canada. <a target=\"_blank\" href=\"https://hal.science/hal-03418105v1\">⟨hal-03418105⟩</a>",
"title_s":["The speciation of titanium(IV) in concentrated phosphoric acid : A spectroscopical and TD-DFT study."],
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"citationRef_s":"<i>International Conference on Photochemistry</i>, Jul 2021, webconference, Switzerland",
"citationFull_s":"Luc Labarrière, Yevheniia Smortsova, François Alexandre Miannay, Aurélien Moncomble, Jean-Paul Cornard. The triply fluorescent 2’,3-dihydroxyflavone computationally and spectroscopically investigated. <i>International Conference on Photochemistry</i>, Jul 2021, webconference, Switzerland. <a target=\"_blank\" href=\"https://hal.science/hal-03417449v1\">⟨hal-03417449⟩</a>",
"title_s":["The triply fluorescent 2’,3-dihydroxyflavone computationally and spectroscopically investigated"],
"authFullName_s":["Luc Labarrière","Yevheniia Smortsova","François Alexandre Miannay","Aurélien Moncomble","Jean-Paul Cornard"],
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"citationRef_s":"<i>Journées Nord Ouest Européennes des Jeunes Chercheurs</i>, Jun 2021, Villeneuve d'Ascq, France",
"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Xavier Mercier, Jean-Paul Cornard. Computational investigation of polycyclic aromatic hydrocarbon dimers as potential soot precursor candidates. <i>Journées Nord Ouest Européennes des Jeunes Chercheurs</i>, Jun 2021, Villeneuve d'Ascq, France. <a target=\"_blank\" href=\"https://hal.science/hal-03417430v1\">⟨hal-03417430⟩</a>",
"title_s":["Computational investigation of polycyclic aromatic hydrocarbon dimers as potential soot precursor candidates"],
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"citationRef_s":"<i>RSC Advances</i>, 2021, 11 (43), pp.27059 - 27073. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/d1ra04284j\">⟨10.1039/d1ra04284j⟩</a>",
"citationFull_s":"Lucas Mangold, Hubert Halleux, Sébastien Leclerc, Aurélien Moncomble, Gérard Cote, et al.. New insights for titanium(iv) speciation in acidic media based on UV-visible and 31P NMR spectroscopies and molecular modeling. <i>RSC Advances</i>, 2021, 11 (43), pp.27059 - 27073. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/d1ra04284j\">⟨10.1039/d1ra04284j⟩</a>. <a target=\"_blank\" href=\"https://hal.univ-lorraine.fr/hal-03324044v1\">⟨hal-03324044⟩</a>",
"title_s":["New insights for titanium(iv) speciation in acidic media based on UV-visible and 31P NMR spectroscopies and molecular modeling"],
"authFullName_s":["Lucas Mangold","Hubert Halleux","Sébastien Leclerc","Aurélien Moncomble","Gérard Cote","Alexandre Chagnes"],
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"citationRef_s":"<i>PhotOnline</i>, Oct 2020, on line, France",
"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Jean-Paul Cornard. Mixed experimental and theoretical study of 2',3-dihydroxyflavone and its dual fluorescence. <i>PhotOnline</i>, Oct 2020, on line, France. <a target=\"_blank\" href=\"https://hal.science/hal-02998526v1\">⟨hal-02998526⟩</a>",
"title_s":["Mixed experimental and theoretical study of 2',3-dihydroxyflavone and its dual fluorescence"],
"authFullName_s":["Luc Labarrière","Aurélien Moncomble","Jean-Paul Cornard"],
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"citationRef_s":"<i>RSC Advances</i>, 2020, 10 (58), pp.35017-35030. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/D0RA06833K\">⟨10.1039/D0RA06833K⟩</a>",
"citationFull_s":"Luc Labarrière, Aurélien Moncomble, Jean-Paul Cornard. pH dependency of the structural and photophysical properties of the atypical 2′,3-dihydroxyflavone. <i>RSC Advances</i>, 2020, 10 (58), pp.35017-35030. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/D0RA06833K\">⟨10.1039/D0RA06833K⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02963297v1\">⟨hal-02963297⟩</a>",
"title_s":["pH dependency of the structural and photophysical properties of the atypical 2′,3-dihydroxyflavone"],
"authFullName_s":["Luc Labarrière","Aurélien Moncomble","Jean-Paul Cornard"],
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"citationRef_s":"<i>L'Actualité Chimique</i>, 2020, 450, pp.40-43",
"citationFull_s":"Erwan Beauvineau, Didier Bourissou, Elise Duboue-Dijon, Ludivine Garcia, Clément Guibert, et al.. Les IChO, de retour en France !. <i>L'Actualité Chimique</i>, 2020, 450, pp.40-43. <a target=\"_blank\" href=\"https://hal.science/hal-02965825v1\">⟨hal-02965825⟩</a>",
"title_s":["Les IChO, de retour en France !"],
"authFullName_s":["Erwan Beauvineau","Didier Bourissou","Elise Duboue-Dijon","Ludivine Garcia","Clément Guibert","Baptiste Haddou","Hakim Lakmini","Aurélien Moncomble","Mathilde Routier","Anne Szymczak"],
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"citationRef_s":"<i>Advanced Synthesis and Catalysis</i>, 2020, 362 (15), pp.3100-3104. <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/adsc.202000071\">⟨10.1002/adsc.202000071⟩</a>",
"citationFull_s":"Cyrille Gosset, Aurélien Moncomble, Clément Dumont, Sylvain Pellegrini, Till Bousquet, et al.. Photocatalyzed Amidoarylation of 1,3‐Butadiene. <i>Advanced Synthesis and Catalysis</i>, 2020, 362 (15), pp.3100-3104. <a target=\"_blank\" href=\"https://dx.doi.org/10.1002/adsc.202000071\">⟨10.1002/adsc.202000071⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02963037v1\">⟨hal-02963037⟩</a>",
"title_s":["Photocatalyzed Amidoarylation of 1,3‐Butadiene"],
"authFullName_s":["Cyrille Gosset","Aurélien Moncomble","Clément Dumont","Sylvain Pellegrini","Till Bousquet","Mathieu Sauthier","Lydie Pelinski"],
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"citationRef_s":"<i>Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..]</i>, 2020, 225, pp.117492. <a target=\"_blank\" href=\"https://dx.doi.org/10.1016/j.saa.2019.117492\">⟨10.1016/j.saa.2019.117492⟩</a>",
"citationFull_s":"Diksha Jani Thaviligadu, Luc Labarrière, Aurélien Moncomble, Jean-Paul Cornard. Spectroscopic and theoretical study of the pH effect on the optical properties of the calcium–morin system. <i>Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..]</i>, 2020, 225, pp.117492. <a target=\"_blank\" href=\"https://dx.doi.org/10.1016/j.saa.2019.117492\">⟨10.1016/j.saa.2019.117492⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-02963036v1\">⟨hal-02963036⟩</a>",
"title_s":["Spectroscopic and theoretical study of the pH effect on the optical properties of the calcium–morin system"],
"authFullName_s":["Diksha Jani Thaviligadu","Luc Labarrière","Aurélien Moncomble","Jean-Paul Cornard"],
"halId_s":"hal-02963036",
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"citationRef_s":"<i>Current Trends in Theoretical Chemistry</i>, Sep 2019, Cracovie, Poland",
"citationFull_s":"Aurélien Moncomble, Diksha Jani Thaviligadu, Jean-Paul Cornard. Joined computational and experimental study of several 4th period cations-morin complexes. <i>Current Trends in Theoretical Chemistry</i>, Sep 2019, Cracovie, Poland. <a target=\"_blank\" href=\"https://hal.science/hal-02398004v1\">⟨hal-02398004⟩</a>",
"title_s":["Joined computational and experimental study of several 4th period cations-morin complexes"],
"authFullName_s":["Aurélien Moncomble","Diksha Jani Thaviligadu","Jean-Paul Cornard"],
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"citationRef_s":"<i>International Symposium on MEtal Complexes</i>, Jun 2019, Debrecen, Hungary",
"citationFull_s":"Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. Electronic spectroscopic study of and quantum chemistry calculations on Ca2+-morin complexes. <i>International Symposium on MEtal Complexes</i>, Jun 2019, Debrecen, Hungary. <a target=\"_blank\" href=\"https://hal.science/hal-02398002v1\">⟨hal-02398002⟩</a>",
"title_s":["Electronic spectroscopic study of and quantum chemistry calculations on Ca2+-morin complexes"],
"authFullName_s":["Diksha Jani Thaviligadu","Aurélien Moncomble","Jean-Paul Cornard"],
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"citationRef_s":"<i>Physical Chemistry Chemical Physics</i>, 2018, 20 (42), pp.26804 - 26808. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/C8CP03977A\">⟨10.1039/C8CP03977A⟩</a>",
"citationFull_s":"Parth Patel, Juan J Arias, Renan Gongora, Florencio Hernandez, Aurélien Moncomble, et al.. Visible light-triggered fluorescence and pH modulation using metastable-state photoacids and BODIPY. <i>Physical Chemistry Chemical Physics</i>, 2018, 20 (42), pp.26804 - 26808. <a target=\"_blank\" href=\"https://dx.doi.org/10.1039/C8CP03977A\">⟨10.1039/C8CP03977A⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-01920077v1\">⟨hal-01920077⟩</a>",
"title_s":["Visible light-triggered fluorescence and pH modulation using metastable-state photoacids and BODIPY"],
"authFullName_s":["Parth Patel","Juan J Arias","Renan Gongora","Florencio Hernandez","Aurélien Moncomble","Stéphane Aloïse","Karin Chumbimuni-Torres"],
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"citationRef_s":"<i>Rencontres des Chimistes Théoriciens Francophones 2018</i>, Oct 2018, Toulouse, France",
"citationFull_s":"Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. Complexation des cations zinc, manganèse et calcium par des flavonols. <i>Rencontres des Chimistes Théoriciens Francophones 2018</i>, Oct 2018, Toulouse, France. <a target=\"_blank\" href=\"https://hal.science/hal-01909714v1\">⟨hal-01909714⟩</a>",
"title_s":["Complexation des cations zinc, manganèse et calcium par des flavonols"],
"authFullName_s":["Diksha Jani Thaviligadu","Aurélien Moncomble","Jean-Paul Cornard"],
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"citationRef_s":"<i>Journal of Physical Chemistry B</i>, 2018, 122 (38), pp.8943 - 8951. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpcb.8b06062\">⟨10.1021/acs.jpcb.8b06062⟩</a>",
"citationFull_s":"Aurélien Moncomble, Cécilia Falantin, Jean-Paul Cornard. Electronic Spectroscopies Combined with Quantum Chemistry Calculations: Study of the Interactions of 3-Hydroxyflavone with Copper Ions. <i>Journal of Physical Chemistry B</i>, 2018, 122 (38), pp.8943 - 8951. <a target=\"_blank\" href=\"https://dx.doi.org/10.1021/acs.jpcb.8b06062\">⟨10.1021/acs.jpcb.8b06062⟩</a>. <a target=\"_blank\" href=\"https://hal.science/hal-01920080v1\">⟨hal-01920080⟩</a>",
"title_s":["Electronic Spectroscopies Combined with Quantum Chemistry Calculations: Study of the Interactions of 3-Hydroxyflavone with Copper Ions"],
"authFullName_s":["Aurélien Moncomble","Cécilia Falantin","Jean-Paul Cornard"],
"halId_s":"hal-01920080",
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"citationRef_s":"<i>European Symposium on Chemical Bonding 2</i>, Sep 2018, Oviedo, Spain",
"citationFull_s":"Aurélien Moncomble, Diksha Jani Thaviligadu, Jean-Paul Cornard. Theoretical and experimental studies on the complexation of fourth period divalent cations with flavonoids. <i>European Symposium on Chemical Bonding 2</i>, Sep 2018, Oviedo, Spain. <a target=\"_blank\" href=\"https://hal.science/hal-01909732v1\">⟨hal-01909732⟩</a>",
"title_s":["Theoretical and experimental studies on the complexation of fourth period divalent cations with flavonoids"],
"authFullName_s":["Aurélien Moncomble","Diksha Jani Thaviligadu","Jean-Paul Cornard"],
"halId_s":"hal-01909732",
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"citationRef_s":"<i>16th International Congress of Quantum Chemistry</i>, Jun 2018, Menton, France",
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