Dominique Guillaumont
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View article: Extraction of Nitric Acid with a Monoamide: Understanding Study and Thermodynamic Modeling
Extraction of Nitric Acid with a Monoamide: Understanding Study and Thermodynamic Modeling Open
International audience
View article: Molecular and Supramolecular Study of Uranium/Plutonium Liquid–Liquid Extraction with <i>N</i>,<i>N</i>-Dialkylamides
Molecular and Supramolecular Study of Uranium/Plutonium Liquid–Liquid Extraction with <i>N</i>,<i>N</i>-Dialkylamides Open
In the context of the separation of uranium and plutonium from spent fuel allowed by N,N-dialkylamides, three regioisomers of N,N-di(2-ethylhexyl) butyramide (DEHBA or ββ) and the diastereopure isomers of N-(2-ethylhexyl)-N-(oct-3-yl)butyr…
View article: Reactivity of actinides mono-cations with NH$_3$ in gas phase: A study using ICP-MS and quantum chemistry
Reactivity of actinides mono-cations with NH$_3$ in gas phase: A study using ICP-MS and quantum chemistry Open
International audience
View article: Reactivity of actinides mono-cations with NH$_3$ in the gas phase
Reactivity of actinides mono-cations with NH$_3$ in the gas phase Open
International audience
View article: Irradiation of Plutonium Tributyl Phosphate Complexes by Ionizing Alpha Particles: A Computational Study
Irradiation of Plutonium Tributyl Phosphate Complexes by Ionizing Alpha Particles: A Computational Study Open
The PUREX solvent extraction process, widely used for recovering uranium and plutonium from spent nuclear fuel, utilizes an organic solvent composed of tributyl phosphate (TBP). The emission of ionizing particles such as alpha particles, r…
View article: Irradiation of plutonium Tributyl Phosphate complexes by ionizing alpha particles: a computational study
Irradiation of plutonium Tributyl Phosphate complexes by ionizing alpha particles: a computational study Open
This zi file contains python scripts and simulation data to generate the graphs of the article "Irradiation of plutonium Tributyl Phosphate complexes by ionizing alpha particles: a computational study". The archives contains a README file …
View article: Effect of metal complexation on the radiolytic stability of DOTA
Effect of metal complexation on the radiolytic stability of DOTA Open
Complexation of DOTA with zirconium greatly enhances its radiolytic stability under gamma irradiation.
View article: CCDC 2077267: Experimental Crystal Structure Determination
CCDC 2077267: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2077269: Experimental Crystal Structure Determination
CCDC 2077269: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2156472: Experimental Crystal Structure Determination
CCDC 2156472: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2156469: Experimental Crystal Structure Determination
CCDC 2156469: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2156471: Experimental Crystal Structure Determination
CCDC 2156471: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2156470: Experimental Crystal Structure Determination
CCDC 2156470: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2077268: Experimental Crystal Structure Determination
CCDC 2077268: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2156468: Experimental Crystal Structure Determination
CCDC 2156468: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2077270: Experimental Crystal Structure Determination
CCDC 2077270: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structural and Bonding Analysis in Monomeric Actinide(IV) Oxalate from Th(IV) to Pu(IV): Comparison with the An(IV) Nitrate Series
Structural and Bonding Analysis in Monomeric Actinide(IV) Oxalate from Th(IV) to Pu(IV): Comparison with the An(IV) Nitrate Series Open
Single-crystal X-ray diffraction (SC-XRD) structures and Raman spectra of a series of new isomorphous molecular An(IV)-oxalate compounds (Th, U, Np, and Pu) are reported. These complexes are crystallized with cobalt(III) hexamine ([Co(NH3)…
View article: Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model
Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model Open
A polarizable force-field (FF) model for short- and long-alkane chains and amide derivatives was constructed based solely on accurate quantum chemical (QC) calculations. First, the FF model accuracy was accessed by performing molecular dyn…
View article: Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water
Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water Open
Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of UO2(NO3)2(L)2 as it has …
View article: Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water
Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water Open
Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of UO2(NO3)2(L)2 as it has …
View article: Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water
Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water Open
Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of UO2(NO3)2(L)2 as it has …
View article: Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water
Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water Open
Uranyl binitrate complexes have a particular interest in the nuclear industry, especially in the reprocessing of spent nuclear fuel. The modified PUREX extraction process is designed to extract U(VI) in the form of UO2(NO3)2(L)2 as it has …
View article: Synthesis and characterization of a hexanuclear plutonium (IV) cluster in solution
Synthesis and characterization of a hexanuclear plutonium (IV) cluster in solution Open
International audience
View article: Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants Open
The strong influence of the structure of amide derivatives on their extraction properties has been demonstrated in several studies in the literature. To investigate and rationalize the influence of the nature and length of the monoamide al…
View article: Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(<scp>iv</scp>) by monoamide and carbamide extractants
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(<span>iv</span>) by monoamide and carbamide extractants Open
The strong influence of the structure of amide derivatives on plutonium extraction properties is rationalized from DFT calculations.
View article: Modeling and Speciation Study of Uranium(VI) and Technetium(VII) with TBP
Modeling and Speciation Study of Uranium(VI) and Technetium(VII) with TBP Open
Among the fission products present in the spent nuclear fuel, technetium exhibits a singular behavior in reprocessing operations performed by solvent extraction. Indeed, this strong acid readily dissociates to form the oxo-anion TcO4− that…
View article: Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset Open
Supplementary information for "Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants" The attached 'Pu-inner-outer.zip' unpacks two directories that con…
View article: Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset Open
Supplementary information for "Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants" The attached 'Pu-inner-outer.zip' unpacks two directories that con…