Gilles Montavon

Documents

Identifiants chercheurs

gilles-montavon
0000-0002-3049-0106
IdRef : 149319711

Présentation

Publications

831147

	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-04304828v1
	Advances in the chemistry of astatine and implications for the development of radiopharmaceuticals François Guérard , Clémence Maingueneau , Lu Liu , Romain Eychenne , Jean-François Gestin Accounts of Chemical Research, 2021, 54 (16), pp.3264. ⟨10.1021/acs.accounts.1c00327⟩ Article dans une revue inserm-03290202v1
	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-03346537v1
	An expanded halogen bonding scale using astatine Lu Liu , Seyfeddine Rahali , Rémi Maurice , Cecilia Gomez Pech , Gilles F Montavon Chemical Science, 2021, 12 (32), pp.10855-10861. ⟨10.1039/d1sc02133h⟩ Article dans une revue hal-03312159v1
	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-02444757v1
	Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed Fadel Bassal , Julie Champion , Sylvain Pardoue , Mahamadou Seydou , Andrea Sabatié-Gogova Inorganic Chemistry, 2020, 59 (19), pp.13923-13932. ⟨10.1021/acs.inorgchem.0c01553⟩ Article dans une revue hal-03095946v1
	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 Chemistry - A European Journal, 2020, 26 (17), pp.3713-3717. ⟨10.1002/chem.201905389⟩ Article dans une revue hal-03095955v1
	Spin–orbit coupling as a probe to decipher halogen bonding Jérôme Graton , Seyfeddine Rahali , Jean-Yves Le Questel , Gilles F Montavon , Julien Pilmé Physical Chemistry Chemical Physics, 2018, 20 (47), pp.29616-29624. ⟨10.1039/C8CP05690K⟩ Article dans une revue hal-02004385v1
	Experimental and computational evidence of halogen bonds involving astatine Ning Guo , Rémi Maurice , David Tézé , Jérôme Graton , Julie Champion Nature Chemistry, 2018, 10 (4), pp.428 - 434. ⟨10.1038/s41557-018-0011-1⟩ Article dans une revue in2p3-01769551v1
	Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates David Teze , Dumitru-Claudiu Sergentu , Valentina Kalichuk , Jacques Barbet , David Deniaud Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-02614-2⟩ Article dans une revue hal-03346519v1
	Advances on the determination of the astatine Pourbaix diagram: Predomination of AtO(OH)₂⁻ over At⁻ in basic conditions Dumitru-Claudiu Sergentu , David Teze , Andrea Sabatié-Gogova , Cyrille Alliot , Ning Guo Chemistry - A European Journal, 2016, 22, pp.2964-2971. ⟨10.1002/chem.201504403⟩ Article dans une revue in2p3-01274072v1
	The Heaviest Possible Ternary Trihalogen Species, IAtBr⁻, Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations Ning Guo , Dumitru-Claudiu Sergentu , David Teze , Julie Champion , Gilles F Montavon Angewandte Chemie International Edition, 2016, 55, pp.15369-15372. ⟨10.1002/anie.201608746⟩ Article dans une revue in2p3-01405047v1
	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 in2p3-01312975v1
	211 At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds Tahra F Ayed , Julien Pilmé , David Tézé , Fadel Bassal , Jacques F Barbet European Journal of Medicinal Chemistry, 2016, 116, pp.156 - 164. ⟨10.1016/j.ejmech.2016.03.082⟩ Article dans une revue inserm-01414904v1
	Unraveling the hydration-induced ground-state change of AtO⁺ 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 in2p3-01447927v1
	Effective bond orders from two-step spin-orbit coupling approaches: The I₂, At₂ , IO⁺, and AtO⁺ case studies Rémi Maurice , Florent Réal , Andre Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon Journal of Chemical Physics, 2015, 142, pp.094305. ⟨10.1063/1.4913738⟩ Article dans une revue in2p3-01123856v1
	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-01258801v1
	QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations Julien Pilme , Renault Eric , Fadel Bassal , Mohamed Amaouch , Gilles F Montavon Journal of Chemical Theory and Computation, 2014, 10 (11), pp.4830-4841. ⟨10.1021/ct500762n⟩ Article dans une revue hal-02142154v1
	Investigation of Astatine(III) Hydrolyzed Species: Experiments and Relativistic Calculations Julie Champion , A. Sabatié-Gogova , F. Bassal , T. Ayed , C. Alliot Journal of Physical Chemistry A, 2013, 117, pp.1983-1990. ⟨10.1021/jp3099413⟩ Article dans une revue in2p3-00804191v1
	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-01231233v1
	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 Analytica Chimica Acta, 2012, 721, pp.182. ⟨10.1016/j.aca.2012.01.052⟩ Article dans une revue in2p3-00681129v1
	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 Physical Chemistry Chemical Physics, 2011, 13, pp.14984-14992. ⟨10.1039/C1CP20512A⟩ Article dans une revue in2p3-01586060v1

	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 SFP 2019 : 25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France Communication dans un congrès in2p3-02289765v1
	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 RANC 2019 : 2nd International Conference on Radioanalytical and Nuclear Chemistry, May 2019, Budapest, Hungary Communication dans un congrès in2p3-02289745v1
	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 1ères Journées d’Etude de la Chimie sous Rayonnement et de la Radiochimie, May 2019, Strasbourg, France Communication dans un congrès in2p3-02289757v1
	Calculs relativistes pour l'identification de nouvelles espèces chimiques aux ultra-traces Dumitru-Claudiu Sergentu , Ning Guo , David Teze , Julie Champion , Gilles F Montavon Rencontres des Chimistes Théoriciens Francophones, Oct 2018, Toulouse, France Communication dans un congrès in2p3-01949497v1
	The role of spin-orbit coupling on the chemical bonding in At₂ and AtO⁺: analysis via effective bond orders Rémi Maurice , Florent Réal , Andre Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon WATOC 2014, Oct 2014, Santiago de Chile, Chile Communication dans un congrès hal-01218767v1
	Investigation of Astatine chemistry in solution Julie Champion , Fadel Bassal , Andrea Sabatié-Gogova , Tahra Ayed , Eric Renault 2nd edition of the Nuclear Technologies for Health Symposium, Feb 2014, Nantes, France Communication dans un congrès in2p3-01159745v1
	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 WATOC 2014, Oct 2014, Santiago, Chile Communication dans un congrès in2p3-01075926v1
	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 in2p3-01064213v1
	Investigation of astatine chemistry in solution Andrea Sabatié-Gogova , Ning Guo , Rémi Maurice , Florent Réal , Nicolas Galland 17th Radiochemical Conference, (Radchem 2014), May 2014, marianske, Czech Republic Communication dans un congrès in2p3-01159756v1
	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 XIVes journées nationales de radiochimie et de chimie nucléaires, Sep 2014, Orsay, France Communication dans un congrès in2p3-01064349v1
	Investigation of Astatine chemistry in solution Julie Champion , A. Sabatié-Gogova , Bassal Fadel , T. Ayed , Eric Renault 2nd International Workshop on Innovative Personalized Radioimmunotherapy, Jul 2013, Nantes, France Communication dans un congrès in2p3-01159740v1
	About the nature of the bonding in AtO+ T. Ayed , M. Seydou , Gilles F Montavon , N. Galland TACC-2012 : Theory and Applications of Computational Chemistry, Sep 2012, Pavia, Italy Communication dans un congrès in2p3-00758845v1
	Exploration of the metallic character of astatine Gilles F Montavon , Andrea Sabatie-Gogova , Julie Champion , Tahra Ayed , Cyrille Alliot NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Sep 2012, Como, Italy Communication dans un congrès in2p3-01157250v1

	Effective bond orders from spin-orbit configuration interaction approaches Rémi Maurice , Florent Réal , André Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon New Frontiers of Relativistic Quantum Chemistry, Jun 2015, Pékin, China Poster de conférence in2p3-01154147v1
	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 Les XIIIèmes Journées Nationales de Radiochimie, Oct 2012, Nantes, France. , 2012 Poster de conférence hal-01273504v1
	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 NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Sep 2012, Como, France Poster de conférence in2p3-01159728v1

Gilles Montavon

Présentation

Publications

Tailoring an efficient computational methodology for studying ligand interactions with heavy radiometals in solution: the case of radium

Advances in the chemistry of astatine and implications for the development of radiopharmaceuticals

Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

An expanded halogen bonding scale using astatine

On the Interplay between Charge‐Shift Bonding and Halogen Bonding

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

Towards a Stronger Halogen Bond Involving Astatine: Unexpected Adduct with Bu3PO Stabilized by Hydrogen Bonding

Spin–orbit coupling as a probe to decipher halogen bonding

Experimental and computational evidence of halogen bonds involving astatine

Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates

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

The Heaviest Possible Ternary Trihalogen Species, IAtBr−, Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations

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

211 At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds

Unraveling the hydration-induced ground-state change of AtO+ by relativistic and multiconfigurational wave-function-based methods

Effective bond orders from two-step spin-orbit coupling approaches: The I2, At2 , IO+, and AtO+ case studies

What can tell the quantum chemical topology on carbon–astatine bonds?

QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations

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

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

Characterization of At- species in simple and biological media by high performance anion exchange chromatography coupled to gamma detector.

Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution

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

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

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

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

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

Investigation of Astatine chemistry in solution

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

Investigation of astatine chemistry in solution

Investigation of astatine chemistry in solution

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

Investigation of Astatine chemistry in solution

About the nature of the bonding in AtO+

Exploration of the metallic character of astatine

Effective bond orders from spin-orbit configuration interaction approaches

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

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

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

The Heaviest Possible Ternary Trihalogen Species, IAtBr⁻, Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations

Unraveling the hydration-induced ground-state change of AtO⁺ by relativistic and multiconfigurational wave-function-based methods

Effective bond orders from two-step spin-orbit coupling approaches: The I₂, At₂ , IO⁺, and AtO⁺ case studies

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