Nicolas Galland

79
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Publications

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Stable astatine–metal bonds in gold-based carriers for targeted alpha-particle therapy: role of charge-shift bonding

Samuel D Mador , Franck Fuster , François Guérard , Julien Pilmé , Nicolas Galland
Inorganic Chemistry Frontiers, 2025, 12 (21), pp.6837-6846. ⟨10.1039/D5QI01028D⟩
Article dans une revue hal-05324453 v1
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FORMATION OF GOLD‐ASTATINE BONDS IN N‐HETEROCYCLIC CARBENE COMPLEXES

Mathilde Ligeour , Sébastien G Guillet , Clémence Maingueneau , Mikaël Croyal , Aurélien Planchat et al.
Chemistry - A European Journal, 2025, Online ahead of print. ⟨10.1002/chem.202500826⟩
Article dans une revue inserm-05063252 v1
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In vivo stability of 211At-radiopharmaceuticals: on the impact of halogen bond formation

Thibault Yssartier , Lu Liu , Sylvain Pardoue , Jean-Yves Le Questel , François Guérard et al.
RSC Medicinal Chemistry, 2024, 15, pp.223-233. ⟨10.1039/d3md00579h⟩
Article dans une revue hal-04304417 v1
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Tailoring an efficient computational methodology for studying ligand interactions with heavy radiometals in solution: the case of radium

Hamissou Mohaman , Steffen Happel , Gilles F Montavon , Nicolas Galland
New Journal of Chemistry, 2023, 47 (27), pp.12914-12925. ⟨10.1039/d3nj02103c⟩
Article dans une revue hal-04304828 v1

The pKBHX Hydrogen-Bond Basicity Scale: From Molecules to Anions

Nicolas Galland , Christian Laurence , Jean-Yves Le Questel
Journal of Organic Chemistry, 2022, 87 (11), pp.7264-7273. ⟨10.1021/acs.joc.2c00469⟩
Article dans une revue hal-04953508 v1
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Pourbaix diagram of astatine revisited: experimental investigations

Lu Liu , Rémi Maurice , Nicolas Galland , Philippe Moisy , Julie Champion et al.
Inorganic Chemistry, 2022, 61 (34), pp.13462-13470. ⟨10.1021/acs.inorgchem.2c01918⟩
Article dans une revue hal-03776952 v1
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Using electrochemistry coupled to high resolution mass spectrometry for the simulation of the environmental degradation of the recalcitrant fungicide carbendazim

Ranil C.T. Temgoua , Ugo Bussy , Dimitri Alvarez-Dorta , Nicolas Galland , Julie Hémez et al.
Talanta, 2021, 221, pp.121448. ⟨10.1016/j.talanta.2020.121448⟩
Article dans une revue hal-03378093 v1

Electrochemistry-coupled to liquid chromatography-mass spectrometry-density functional theory as a new tool to mimic the environmental degradation of selected phenylurea herbicides

Ranil Clément Tonleu Temgoua , Ugo Bussy , Dimitri Alvarez-Dorta , Nicolas Galland , Evangeline Njanja et al.
Environmental Science: Processes & Impacts, 2021, 23 (10), pp.1600-1611. ⟨10.1039/D1EM00351H⟩
Article dans une revue hal-05358056 v1
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Advances in the chemistry of astatine and implications for the development of radiopharmaceuticals

François Guérard , Clémence Maingueneau , Lu Liu , Romain Eychenne , Jean-François Gestin et al.
Accounts of Chemical Research, 2021, 54 (16), pp.3264. ⟨10.1021/acs.accounts.1c00327⟩
Article dans une revue inserm-03290202 v1
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Delocalized relativistic effects, from the viewpoint of halogen bonding

Serigne Sarr , Jérôme Graton , Seyfeddine Rahali , Gilles F Montavon , Nicolas Galland
Physical Chemistry Chemical Physics, 2021, 23 (7), pp.4064-4074. ⟨10.1039/D0CP05840H⟩
Article dans une revue hal-03178510 v1
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La radiochimie théorique comme composante essentielle de la radiochimie moléculaire

Rémi Maurice , Eléonor Acher , Nicolas Galland , André Severo Pereira Gomes , Dominique Guillaumont et al.
L'Actualité Chimique, 2021, 460-461, pp.42-47
Article dans une revue hal-03172988 v1
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An expanded halogen bonding scale using astatine

Lu Liu , Seyfeddine Rahali , Rémi Maurice , Cecilia Gomez Pech , Gilles F Montavon et al.
Chemical Science, 2021, 12 (32), pp.10855-10861. ⟨10.1039/d1sc02133h⟩
Article dans une revue hal-03312159 v1
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Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

Serigne Sarr , Julien Pilmé , Gilles F Montavon , Jean-Yves Le Questel , Nicolas Galland
Molecules, 2021, 26 (15), pp.4568. ⟨10.3390/molecules26154568⟩
Article dans une revue hal-03346537 v1

Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed

Fadel Bassal , Julie Champion , Sylvain Pardoue , Mahamadou Seydou , Andrea Sabatié-Gogova et al.
Inorganic Chemistry, 2020, 59 (19), pp.13923-13932. ⟨10.1021/acs.inorgchem.0c01553⟩
Article dans une revue hal-03095946 v1
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Crystallographic Structure and Crystal Field Parameters in the [An IV (DPA) 3 ] 2 -series

Matthieu Autillo , Md. Ashraful Islam , Julie Jung , Julien Pilmé , Nicolas Galland et al.
Physical Chemistry Chemical Physics, 2020, 22 (25), pp.14293-14308. ⟨10.1039/D0CP02137G⟩
Article dans une revue hal-02960035 v1
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On the Interplay between Charge‐Shift Bonding and Halogen Bonding

Serigne Sarr , Jérôme Graton , Gilles F Montavon , Julien Pilmé , Nicolas Galland
ChemPhysChem, 2020, ⟨10.1002/cphc.201901023⟩
Article dans une revue hal-02444757 v1
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Towards a Stronger Halogen Bond Involving Astatine: Unexpected Adduct with Bu3PO Stabilized by Hydrogen Bonding

Lu Liu , Ning Guo , Julie Champion , Jérôme Graton , Gilles F Montavon et al.
Chemistry - A European Journal, 2020, 26 (17), pp.3713-3717. ⟨10.1002/chem.201905389⟩
Article dans une revue hal-03095955 v1
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Quantum chemical topology at the spin–orbit configuration interaction level: Application to astatine compounds

Cecilia Gomez Pech , Pi A.B. Haase , Dumitru‐claudiu Sergentu , Anastasia Borschevsky , Julien Pilmé et al.
Journal of Computational Chemistry, 2020, 41 (23), pp.2055-2065. ⟨10.1002/jcc.26373⟩
Article dans une revue hal-02927706 v1

The electron affinity of astatine

David Leimbach , Julia Karls , Yangyang Guo , Rizwan Ahmed , Jochen Ballof et al.
Nature Communications, 2020, 11 (1), ⟨10.1038/s41467-020-17599-2⟩
Article dans une revue hal-03416306 v1
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Simulation of the environmental degradation of diuron (herbicide) using electrochemistry coupled to high resolution mass spectrometry

Ranil C.T. Temgoua , Ugo Bussy , Dimitri Alvarez-Dorta , Nicolas Galland , Julie Hémez et al.
Electrochimica Acta, 2020, 352, pp.136485. ⟨10.1016/j.electacta.2020.136485⟩
Article dans une revue hal-03408281 v1
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Sn−Li Transmetalation of α‐Aminoorganostannanes for the Stereoselective Synthesis of Substituted Dehydropiperidines and Dehydroazepanes

Alexandre Lumbroso , Isabelle Beaudet , Jean-Paul Quintard , Cécile Fraisse , Nicolas Galland et al.
Advanced Synthesis and Catalysis, 2019, 361 (16), pp.3777-3786. ⟨10.1002/adsc.201900349⟩
Article dans une revue hal-03017578 v1
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Relevance of effective bond orders in heterodiatomic molecules and role of the spin-orbit coupling in the AtX (X=At–F) series

Cecilia Gomez Pech , Pi A.B. Haase , Nicolas Galland , Anastasia Borschevsky , Rémi Maurice
Physical Review A, 2019, 100 (3), pp.032518. ⟨10.1103/PhysRevA.100.032518⟩
Article dans une revue hal-02327747 v1
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Tin-Catalyzed Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles: Homogeneous and Heterogeneous procedures

Jean-Mathieu Chretien , Gaelle Kerric , Françoise Zammattio , Nicolas Galland , Michael Paris et al.
Advanced Synthesis and Catalysis, 2019, 361 (4), pp.747-757. ⟨10.1002/adsc.201801117⟩
Article dans une revue hal-03017577 v1
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Spin–orbit coupling as a probe to decipher halogen bonding

Jérôme Graton , Seyfeddine Rahali , Jean-Yves Le Questel , Gilles F Montavon , Julien Pilmé et al.
Physical Chemistry Chemical Physics, 2018, 20 (47), pp.29616-29624. ⟨10.1039/C8CP05690K⟩
Article dans une revue hal-02004385 v1

Theoretical 0–0 Energies with Chemical Accuracy

Pierre-Francois Loos , Nicolas Galland , Denis Jacquemin
Journal of Physical Chemistry Letters, 2018, 9 (16), pp.4646 - 4651. ⟨10.1021/acs.jpclett.8b02058⟩
Article dans une revue hal-01858535 v1

Experimental and computational evidence of halogen bonds involving astatine

Ning Guo , Rémi Maurice , David Teze , Jérôme Graton , Julie Champion et al.
Nature Chemistry, 2018, 10 (4), pp.428 - 434. ⟨10.1038/s41557-018-0011-1⟩
Article dans une revue in2p3-01769551 v1

The bonding picture in hypervalent XF<sub>3</sub> (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology

Mohamed Amaouch , Dumitru-Claudiu Sergentu , David Steinmetz , Rémi Maurice , Nicolas Galland et al.
Journal of Computational Chemistry, 2017, 38, pp.2753 - 2762. ⟨10.1002/jcc.24905⟩
Article dans une revue in2p3-01628255 v1

Influence of Alcohol beta-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates

Jérôme Graton , Guillaume Compain , François Besseau , Elena Bogdan , Joseph M. Watts et al.
Chemistry - A European Journal, 2017, 23 (12), pp.2811-2819. ⟨10.1002/chem.201604940⟩
Article dans une revue hal-02141307 v1
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Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates

David Teze , Dumitru-Claudiu Sergentu , Valentina Kalichuk , Jacques Barbet , David Deniaud et al.
Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-02614-2⟩
Article dans une revue hal-03346519 v1

Advances on the determination of the astatine Pourbaix diagram: Predomination of AtO(OH)<sub>2</sub><sup>−</sup> over At<sup>−</sup> in basic conditions

Dumitru-Claudiu Sergentu , David Teze , Andrea Sabatié-Gogova , Cyrille Alliot , Ning Guo et al.
Chemistry - A European Journal, 2016, 22, pp.2964-2971. ⟨10.1002/chem.201504403⟩
Article dans une revue istex in2p3-01274072 v1
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211 At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds

Tahra F Ayed , Julien Pilmé , David Teze , Fadel Bassal , Jacques F Barbet et al.
European Journal of Medicinal Chemistry, 2016, 116, pp.156 - 164. ⟨10.1016/j.ejmech.2016.03.082⟩
Article dans une revue istex inserm-01414904 v1

Structural, dynamical, and transport properties of the hydrated halides: How do At<sup>-</sup> bulk properties compare with those of the other halides, from F<sup>-</sup> to I<sup>-</sup>?

Florent Réal , Andre Severo Pereira Gomes , Yansel Omar Guerrero Martínez , Nicolas Galland , Valérie Vallet et al.
The Journal of Chemical Physics, 2016, 144, pp.124513. ⟨10.1063/1.4944613⟩
Article dans une revue hal-01294362 v1
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Unraveling the hydration-induced ground-state change of AtO<sup>+</sup> by relativistic and multiconfigurational wave-function-based methods

Dumitru-Claudiu Sergentu , Florent Réal , Gilles F Montavon , Nicolas Galland , Rémi Maurice
Physical Chemistry Chemical Physics, 2016, 18, pp.32703-32712. ⟨10.1039/C6CP05028J⟩
Article dans une revue in2p3-01447927 v1
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The Heaviest Possible Ternary Trihalogen Species, IAtBr<sup>−</sup>, Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations

Ning Guo , Dumitru-Claudiu Sergentu , David Teze , Julie Champion , Gilles F Montavon et al.
Angewandte Chemie International Edition, 2016, 55, pp.15369-15372. ⟨10.1002/anie.201608746⟩
Article dans une revue istex in2p3-01405047 v1

Scrutinizing "invisible" astatine: A challenge for modern density functionals

Dumitru-Claudiu Sergentu , Grégoire David , Gilles F Montavon , Rémi Maurice , Nicolas Galland
Journal of Computational Chemistry, 2016, 37, pp.1345-1354. ⟨10.1002/jcc.24326⟩
Article dans une revue istex in2p3-01312975 v1
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Effective bond orders from two-step spin-orbit coupling approaches: The I<sub>2</sub>, At<sub>2</sub> , IO<sup>+</sup>, and AtO<sup>+</sup> case studies

Rémi Maurice , Florent Réal , Andre Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon et al.
The Journal of Chemical Physics, 2015, 142, pp.094305. ⟨10.1063/1.4913738⟩
Article dans une revue in2p3-01123856 v1

Intramolecular OH center dot center dot center dot Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The gamma-Fluoropropanol Motif

Bruno Linclau , Florent Peron , Elena Bogdan , Neil Wells , Zhong Wang et al.
Chemistry - A European Journal, 2015, 21 (49), pp.17808-17816. ⟨10.1002/chem.201503253⟩
Article dans une revue hal-02141598 v1
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What can tell the quantum chemical topology on carbon–astatine bonds?

Mohamed Amaouch , Gilles F Montavon , Nicolas Galland , Julien Pilmé
Molecular Physics, 2015, pp.1-8. ⟨10.1080/00268976.2015.1120361⟩
Article dans une revue hal-01258801 v1
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Electronic structures and geometries of the XF<sub>3</sub> (X = Cl, Br, I, At) fluorides

Dumitru-Claudiu Sergentu , Mohamed Amaouch , Julien Pilmé , Nicolas Galland , Rémi Maurice
The Journal of Chemical Physics, 2015, 143, pp.114306. ⟨10.1063/1.4930609⟩
Article dans une revue in2p3-01201552 v1

QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations

Julien Pilme , Renault Eric , Fadel Bassal , Mohamed Amaouch , Gilles F Montavon et al.
Journal of Chemical Theory and Computation, 2014, 10 (11), pp.4830-4841. ⟨10.1021/ct500762n⟩
Article dans une revue hal-02142154 v1

Electronic structure investigation of the evanescent AtO<sup>+</sup> ion

Andre Severo Pereira Gomes , Florent Réal , Renzo Cimiraglia , Valérie Vallet , Celestino Angeli et al.
Physical Chemistry Chemical Physics, 2014, 16, pp.9238. ⟨10.1039/C3CP55294B⟩
Article dans une revue hal-01077517 v1

Investigation of Astatine(III) Hydrolyzed Species: Experiments and Relativistic Calculations

Julie Champion , A. Sabatié-Gogova , F. Bassal , T. Ayed , C. Alliot et al.
Journal of Physical Chemistry A, 2013, 117, pp.1983-1990. ⟨10.1021/jp3099413⟩
Article dans une revue in2p3-00804191 v1

Rationalization of the Solvation Effects on the AtO+ Ground-State Change

Tahra Ayed , Florent Réal , Gilles F Montavon , Nicolas Galland
Journal of Physical Chemistry B, 2013, 117, pp.10589. ⟨10.1021/jp406803e⟩
Article dans une revue hal-01231233 v1

Computing redox potentials for dyes used in p-type dye-sensitized solar cells

Frederic B. Anne , Nicolas Galland , Denis Jacquemin
International Journal of Quantum Chemistry, 2012, 112 (24, SI), pp.3763-3768. ⟨10.1002/qua.24215⟩
Article dans une revue istex hal-02142485 v1

Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry

Nicolas Galland , Soleymane Kone , Jean-Yves Le Questel
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2012, 26 (10), pp.1111-1126. ⟨10.1007/s10822-012-9602-x⟩
Article dans une revue istex hal-02142683 v1
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Characterization of At- species in simple and biological media by high performance anion exchange chromatography coupled to gamma detector.

A. Sabatié-Gogova , Julie Champion , Sandrine Huclier , Nathalie Michel , F. Pottier et al.
Analytica Chimica Acta, 2012, 721, pp.182. ⟨10.1016/j.aca.2012.01.052⟩
Article dans une revue in2p3-00681129 v1

Electrochemical Cleavage of Sulfonamides: An Efficient and Tunable Strategy to Prevent β-Fragmentation and Epimerization

Pierre Viaud , Vincent Coeffard , Christine Thobie-Gautier , Isabelle Beaudet , Nicolas Galland et al.
Organic Letters, 2012, 14 (3), pp.942-945. ⟨10.1021/ol300003f⟩
Article dans une revue hal-02294420 v1

Non-thermal internal energy distribution of ions observed in an electrospray source interfaced with a sectormass spectrometer

David Rondeau , Nicolas Galland , Emilie-Laure Zins , Claude Pepe , Laszlo Drahos et al.
Journal of Mass Spectrometry, 2011, 46, pp.100-111. ⟨10.1002/jms.1873⟩
Article dans une revue istex hal-01121929 v1
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Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution

Julie Champion , Mahamadou Seydou , Andrea Sabatié-Gogova , Eric Renault , Gilles F Montavon et al.
Physical Chemistry Chemical Physics, 2011, 13, pp.14984-14992. ⟨10.1039/C1CP20512A⟩
Article dans une revue in2p3-01586060 v1

Structural Features and Hydrogen-Bond Properties of Galanthamine and Codeine: An Experimental and Theoretical Study

Alexandre P. Atkinson , Evelyne Baguet , Nicolas Galland , Jean-Yves Le Questel , Aurélien Planchat et al.
Chemistry - A European Journal, 2011, 17 (41), pp.11637-11649. ⟨10.1002/chem.201100475⟩
Article dans une revue istex hal-02143156 v1

Theoretical and experimental study of tropylium formation from substituted benzylpyridinium species

Emilie-Laure Zins , Claude Pepe , David Rondeau , Sophie Rochut , Nicolas Galland et al.
Journal of Mass Spectrometry, 2009, 44 (1), pp.12 - 17. ⟨10.1002/jms.1461⟩
Article dans une revue istex hal-03343419 v1

Les bases de données et l’importance des outils de modélisation pour les « DTS » (Difficult-to-Study radioelements): cas du Radium

Anne-Laure Nivesse , Hamissou Mohaman , Nicolas Galland , Gilles F Montavon
Journées annuelles du GDR SciNEE, Jan 2025, Lyon, France
Communication dans un congrès hal-05361633 v1

Caractérisation de la toxicité des insecticides néonicotinoïdes à l’échelle microscopique : que peut-on apprendre de la modélisation moléculaire ?

Rémi Gojard , Zakaria Bouchouireb , Nicolas Galland , Jy. Le Questel
Journées Scientifiques 2025 de Nantes Université, May 2025, Nantes, France
Communication dans un congrès hal-05361614 v1

Design of Astatine(I) chelates for applications in targeted alpha therapy

Pierre Rouanet , Samuel Danladi Mador , Camille Custodio , François Guérard , Nicolas Galland
JTMS 2025 : Journées "Théorie, Modélisation et Simulation", Nov 2025, Bordeaux, France
Communication dans un congrès hal-05361499 v1

Impact of halogen bonding on stability of astatine-211 labelled compounds

Samuel Danladi Mador , Thibault Yssartier , François Guérard , Jy. Le Questel , Gilles F Montavon et al.
2èmes Journées scientifiques du GDR Sigma-Hole, Jun 2025, Orsay, France
Communication dans un congrès hal-05361583 v1

Towards a stronger halogen bond involving At — Investigation of halogen-bonded adducts of AtI and Bu3PO

Lu Liu , Ning Guo , Julie Champion , Jérôme Graton , Gilles F Montavon et al.
1ères Journées d’Etude de la Chimie sous Rayonnement et de la Radiochimie, May 2019, Strasbourg, France
Communication dans un congrès in2p3-02289757 v1

Towards a stronger halogen bond involving At — Investigation of halogen-bonded adducts of AtI and Bu3PO

Lu Liu , Ning Guo , Julie Champion , Jérôme Graton , Gilles F Montavon et al.
SFP 2019 : 25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France
Communication dans un congrès in2p3-02289765 v1

Towards a stronger halogen bond involving At — Investigation of halogen-bonded adducts of AtI and Bu3PO

Lu Liu , Ning Guo , Julie Champion , Jérôme Graton , Gilles F Montavon et al.
RANC 2019 : 2nd International Conference on Radioanalytical and Nuclear Chemistry, May 2019, Budapest, Hungary
Communication dans un congrès in2p3-02289745 v1

Probing chemical bonds at the relativistic and multiconfigurational level: Effective bond orders and topological analyses

Cecilia Gomez Pech , Pi A. B. Haase , Dumitru-Claudiu Sergentu , Nicolas Galland , Anastasia Borschevsky et al.
ESCB2, Sep 2018, Oviedo, Spain
Communication dans un congrès in2p3-01949510 v1

Calculs relativistes pour l'identification de nouvelles espèces chimiques aux ultra-traces

Dumitru-Claudiu Sergentu , Ning Guo , David Teze , Julie Champion , Gilles F Montavon et al.
Rencontres des Chimistes Théoriciens Francophones, Oct 2018, Toulouse, France
Communication dans un congrès in2p3-01949497 v1

Hunting invisible astatine: An excuse to study the role of spin-orbit coupling on chemical bonding?

Cecilia Gomez Pech , Dumitru-Claudiu Sergentu , Nicolas Galland , Rémi Maurice
Symposium Theoretical Chemistry: Transition metals, excited states, and more, Apr 2017, Groningen, Netherlands
Communication dans un congrès in2p3-01512976 v1

Hydration-induced ground-state change of AtO<sup>+</sup>: A relativistic and multiconfigurational wave function theory study

Dumitru-Claudiu Sergentu , F. Réal , N. Galland , Rémi Maurice
TACC 2016, Aug 2016, Seattle, United States
Communication dans un congrès in2p3-01361872 v1

The role of spin-orbit coupling on the chemical bonding in At<sub>2</sub> and AtO<sup>+</sup>: analysis via effective bond orders

Rémi Maurice , Florent Réal , Andre Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon et al.
WATOC 2014, Oct 2014, Santiago de Chile, Chile
Communication dans un congrès hal-01218767 v1

Etude de la chimie de l'astate à l'aide de la modélisation moléculaire quantique

Fadel Bassal , François Guillon Verne , Rémi Maurice , Andrea Sabatié-Gogova , Julie Champion et al.
XIVes journées nationales de radiochimie et de chimie nucléaires, Sep 2014, Orsay, France
Communication dans un congrès in2p3-01064349 v1

Investigation of astatine chemistry in solution

Andrea Sabatié-Gogova , Ning Guo , Rémi Maurice , Florent Réal , Nicolas Galland et al.
17th Radiochemical Conference, (Radchem 2014), May 2014, marianske, Czech Republic
Communication dans un congrès in2p3-01159756 v1

Investigation of Astatine chemistry in solution

Julie Champion , Fadel Bassal , Andrea Sabatié-Gogova , Tahra Ayed , Eric Renault et al.
2nd edition of the Nuclear Technologies for Health Symposium, Feb 2014, Nantes, France
Communication dans un congrès in2p3-01159745 v1

The role of spin-orbit coupling on the chemical bonding in At2 and AtO+: analysis via effective bond orders

Rémi Maurice , F. Réal , A. S. P. Gomes , Gilles F Montavon , V. Vallet et al.
WATOC 2014, Oct 2014, Santiago, Chile
Communication dans un congrès in2p3-01075926 v1

Investigation of astatine chemistry in solution

Rémi Maurice , Nicolas Galland , Gilles F Montavon
8th conference on isotopes and expo, Aug 2014, Chicago, United States
Communication dans un congrès in2p3-01064213 v1

Investigation of Astatine chemistry in solution

Julie Champion , A. Sabatié-Gogova , Bassal Fadel , T. Ayed , Eric Renault et al.
2nd International Workshop on Innovative Personalized Radioimmunotherapy, Jul 2013, Nantes, France
Communication dans un congrès in2p3-01159740 v1

About the nature of the bonding in AtO+

T. Ayed , Mahamadou Seydou , Gilles F Montavon , N. Galland
TACC-2012 : Theory and Applications of Computational Chemistry, Sep 2012, Pavia, Italy
Communication dans un congrès in2p3-00758845 v1

Exploration of the metallic character of astatine

Gilles F Montavon , Andrea Sabatie-Gogova , Julie Champion , Tahra Ayed , Cyrille Alliot et al.
NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Sep 2012, Como, Italy
Communication dans un congrès in2p3-01157250 v1

The peculiar electronic structure of AtO<sup>+</sup> in water

Dumitru-Claudiu Sergentu , Florent Réal , Nicolas Galland , Rémi Maurice
IMAMPC 2016, Jun 2016, Le Havre, France
Poster de conférence in2p3-01446967 v1

Effective bond orders from spin-orbit configuration interaction approaches

Rémi Maurice , Florent Réal , André Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon et al.
New Frontiers of Relativistic Quantum Chemistry, Jun 2015, Pékin, China
Poster de conférence in2p3-01154147 v1

Getting to know the enigmatic astatine: towards the theoretical modeling of astatine-contaning species in condensed phase

Andre Severo Pereira Gomes , Florent Réal , Valérie Vallet , Nicolas Galland , Celestino Angeli et al.
11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics (REHE-2014), Sep 2014, Smolenice, Slovakia. , 2014
Poster de conférence hal-01653983 v1

Electronic structure investigation of the evanescent AtO<sup>+</sup> ion

Andre Severo Pereira Gomes , Florent Réal , Nicolas Galland , Valérie Vallet
7th Molecular Quantum Mechanics, Jun 2013, Lugano, Switzerland. , 2013
Poster de conférence hal-01077537 v1

Combined experimental and theoretical investigations of the heavy highlight electromobility. (I- and At-)

Julie Champion , M. Le Ferrec , Gilles F Montavon , Florent Réal , Tarah Ayed et al.
Les XIIIèmes Journées Nationales de Radiochimie, Oct 2012, Nantes, France. , 2012
Poster de conférence hal-01273504 v1

Characterization of At- and AtO+ species in simple media by high performance ion exchange chromatography coupled to gamma detector. Application to astatine speciation in human serum

Andrea Sabatie-Gogova , Julie Champion , Sandrine Huclier , Nathalie Michel , Nicolas Galland et al.
NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Sep 2012, Como, France
Poster de conférence in2p3-01159728 v1