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GM

Gilles Montavon

9
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Publications

37462
"remi-maurice"
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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

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
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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
Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-02614-2⟩
Article dans une revue hal-03346519v1
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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
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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
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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 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

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
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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