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Tailoring an efficient computational methodology for studying ligand interactions with heavy radiometals in solution: the case of radium
Hamissou Mohaman
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Steffen Happel
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Gilles F Montavon
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Nicolas Galland
Article dans une revue
hal-04304828v1
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Pourbaix diagram of astatine revisited: experimental investigations
Lu Liu
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Rémi Maurice
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Nicolas Galland
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Philippe Moisy
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Julie Champion
Article dans une revue
hal-03776952v1
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Advances in the chemistry of astatine and implications for the development of radiopharmaceuticals
François Guérard
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Clémence Maingueneau
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Lu Liu
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Romain Eychenne
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Jean-François Gestin
Article dans une revue
inserm-03290202v1
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An expanded halogen bonding scale using astatine
Lu Liu
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Seyfeddine Rahali
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Rémi Maurice
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Cecilia Gomez Pech
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Gilles F Montavon
Article dans une revue
hal-03312159v1
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Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects
Nicolas Galland
,
Gilles F Montavon
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Jean-Yves Le Questel
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Jérôme Graton
Article dans une revue
hal-02004380v1
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Spin–orbit coupling as a probe to decipher halogen bonding
Jérôme Graton
,
Seyfeddine Rahali
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Jean-Yves Le Questel
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Gilles F Montavon
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Julien Pilmé
Article dans une revue
hal-02004385v1
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Evidence for the Heaviest Expected Halide Species in Aqueous Solution, At − , by Electromobility Measurements
Ning Guo
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Fabien Pottier
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Jean Aupiais
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Cyrille Alliot
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Gilles F Montavon
Article dans une revue
inserm-02484777v1
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Experimental and computational evidence of halogen bonds involving astatine
Ning Guo
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Rémi Maurice
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David Tézé
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Jérôme Graton
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Julie Champion
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
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Jacques Barbet
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David Deniaud
Article dans une revue
hal-03346519v1
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Solvent Extraction and Ion Exchange Solvent Extraction of Polonium(IV) with Tributylphosphate (TBP) View supplementary material Solvent Extraction of Polonium(IV) with Tributylphosphate (TBP)
A. Younes
,
C. Alliot
,
B. Mokili
,
D. Deniaud
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Gilles F Montavon
Article dans une revue
in2p3-01500460v1
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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
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Ning Guo
Article dans une revue
in2p3-01274072v1
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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
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Gilles F Montavon
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Nicolas Galland
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Rémi Maurice
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
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Gilles F Montavon
Article dans une revue
in2p3-01405047v1
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Scrutinizing "invisible" astatine: A challenge for modern density functionals
Dumitru-Claudiu Sergentu
,
Grégoire David
,
Gilles F Montavon
,
Rémi Maurice
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Nicolas Galland
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
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Fadel Bassal
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Jacques F Barbet
Article dans une revue
inserm-01414904v1
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Effective bond orders from two-step spin-orbit coupling approaches: The I2, At2 , IO+, and AtO+ case studies
Rémi Maurice
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Florent Réal
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Andre Severo Pereira Gomes
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Valérie Vallet
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Gilles F Montavon
Article dans une revue
in2p3-01123856v1
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What can tell the quantum chemical topology on carbon–astatine bonds?
Mohamed Amaouch
,
Gilles F Montavon
,
Nicolas Galland
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Julien Pilmé
Article dans une revue
hal-01258801v1
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QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations
Julien Pilme
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Renault Eric
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Fadel Bassal
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Mohamed Amaouch
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Gilles F Montavon
Article dans une revue
hal-02142154v1
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