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Number of documents

46

Philippe GUILBAUD - CEA


Journal articles33 documents

  • Alexiane Thevenet, Cecile Marie, Christelle Tamain, Valeria Amendola, Ana Miljkovic, et al.. Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium. Dalton Transactions, Royal Society of Chemistry, 2020, 49 (5), pp.1446-1455. ⟨10.1039/c9dt04314d⟩. ⟨hal-02558026⟩
  • Gregory Horne, Stephen Mezyk, Bruce Mincher, Christopher Zarzana, Cathy Rae, et al.. DEHBA (di-2-ethylhexylbutyramide) gamma radiolysis under spent nuclear fuel solvent extraction process conditions. Radiation Physics and Chemistry, Elsevier, 2020, 170, pp.108608. ⟨10.1016/j.radphyschem.2019.108608⟩. ⟨hal-02558021⟩
  • Christelle Tamain, Laura Bonato, Jean Aupiais, Thomas Dumas, Dominique Guillaumont, et al.. Role of the Hydroxo Group in the Coordination of Citric Acid to Trivalent Americium. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2020, 2020 (14), pp.1331-1344. ⟨10.1002/ejic.202000124⟩. ⟨hal-02558018⟩
  • Tamir Sukhbaatar, Magali Duvail, Thomas Dumas, Sandrine Dourdain, Guilhem Arrachart, et al.. Probing the existence of uranyl trisulfate structures in the AMEX solvent extraction process. Chemical Communications, Royal Society of Chemistry, 2019, 55, pp.7583-7586. ⟨10.1039/c9cc02651g⟩. ⟨hal-02161600⟩
  • M. Autillo, L. Guerin, T. Dumas, M. Grigoriev, A. Fedoseev, et al.. Insight of the metal-ligand interaction in f elements complexes by paramagnetic NMR spectroscopy. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25, pp.4435 -4451. ⟨cea-02339876⟩
  • Magali Duvail, Thomas Dumas, Amaury Paquet, Amaury Coste, Laurence Berthon, et al.. UO22+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (15), pp.7894-7906. ⟨10.1039/C8CP07230B⟩. ⟨hal-02109047⟩
  • Gregory Horne, Christopher Zarzana, Travis Grimes, Cathy Rae, Joakim Ceder, et al.. Effect of chemical environment on the radiation chemistry of N , N -di-(2-ethylhexyl)butyramide (DEHBA) and plutonium retention. Dalton Transactions, Royal Society of Chemistry, 2019, 48 (38), pp.14450-14460. ⟨10.1039/c9dt02383f⟩. ⟨hal-02558028⟩
  • Amaury Paquet, Olivier Diat, Laurence Berthon, Philippe Guilbaud. Aggregation in organic phases after solvent extraction of uranyl nitrate: X-ray scattering and molecular dynamic simulations. Journal of Molecular Liquids, Elsevier, 2019, 277, pp.22-35. ⟨10.1016/j.molliq.2018.12.051⟩. ⟨hal-02133578⟩
  • Matthieu Autillo, Laetitia Guerin, Thomas Dumas, Mikhail Grigoriev, Alexandre Fedoseev, et al.. Insight of the Metal–Ligand Interaction in f‐Element Complexes by Paramagnetic NMR Spectroscopy. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25 (17), pp.4435-4451. ⟨10.1002/chem.201805858⟩. ⟨hal-02128714⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Christophe Penisson, Johannes Theisen, et al.. Molecular simulation of binary phase diagrams from the osmotic equilibrium method: vapour pressure and activity in water–ethanol mixtures. Molecular Physics, Taylor & Francis, 2018, 116 (15-16), pp.2009-2021. ⟨10.1080/00268976.2018.1444209⟩. ⟨cea-01760168⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations. Journal of Physical Chemistry B, American Chemical Society, 2018, 122 (31), pp.7726-7736. ⟨10.1021/acs.jpcb.8b04950⟩. ⟨hal-01998392⟩
  • Yushu Chen, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (10), pp.7094-7100. ⟨10.1039/C6CP07843E⟩. ⟨hal-02000040⟩
  • Donatien Gomes Rodrigues, Ophélie Fadel, Pierre Bauduin, Philippe Guilbaud, Annabelle l'Hermitte, et al.. Self-assembly of a bio-based extractant in methyl esters: combination of small angle X-ray scattering experiments and molecular dynamics simulations. Green Chemistry, Royal Society of Chemistry, 2017, 19 (19), pp.4680-4689. ⟨10.1039/C7GC01769C⟩. ⟨hal-02113543⟩
  • J. Drader, G. Saint Louis, J.M. Muller, M.-C. Charbonnel, P. Guilbaud, et al.. Radiation chemistry of the branched-chain monoamide di-ethylhexyl-isobutyramide. Solvent Extraction and Ion Exchange, Taylor & Francis, 2017, 35, pp.480-495. ⟨10.1080/07366299.2017.1379713⟩. ⟨cea-02418704⟩
  • Magali Duvail, Steven van Damme, Philippe Guilbaud, Yushu Chen, Thomas Zemb, et al.. The role of curvature effects in liquid–liquid extraction: assessing organic phase mesoscopic properties from MD simulations. Soft Matter, Royal Society of Chemistry, 2017, 13 (33), pp.5518-5526. ⟨10.1039/C7SM00733G⟩. ⟨hal-02000001⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions. Journal of Physical Chemistry B, American Chemical Society, 2017, 121 (41), pp.9647-9658. ⟨10.1021/acs.jpcb.7b04011⟩. ⟨hal-01999620⟩
  • Nathalie Boubals, Christoph Wagner, Thomas Dumas, Léa Chanèac, Gabriel Manie, et al.. Complexation of Actinide(III) and Lanthanide(III) with H 4 TPAEN for a Separation of Americium from Curium and Lanthanides. Inorganic Chemistry, American Chemical Society, 2017, 56 (14), pp.7861-7869. ⟨10.1021/ACS.INORGCHEM.7B00603⟩. ⟨cea-02528025⟩
  • Sandrine Sauge-Merle, Florian Brulfert, Romain Pardoux, Pier Lorenzo Solari, David Lemaire, et al.. Structural Analysis of Uranyl Complexation by the EF‐Hand Motif of Calmodulin: Effect of Phosphorylation. Chemistry - A European Journal, Wiley-VCH Verlag, 2017, 23 (61), pp.15505 - 15517. ⟨10.1002/chem.201703484⟩. ⟨hal-01794613⟩
  • O Pecheur, Sandrine Dourdain, D. Guillaumont, J. Rey, P Guilbaud, et al.. Synergism in a HDEHP/TOPO Liquid−Liquid Extraction System: An Intrinsic Ligands Property?. Journal of Physical Chemistry B, American Chemical Society, 2016, 120, pp.2814-2823. ⟨10.1021/acs.jpcb.5b11693⟩. ⟨cea-01294523⟩
  • Thanh-Nghi Nguyen, Magali Duvail, Arnaud Villard, John Jairo Molina, Philippe Guilbaud, et al.. Multi-scale modelling of uranyl chloride solutions. Journal of Chemical Physics, American Institute of Physics, 2015, 142 (2), pp.024501. ⟨10.1063/1.4905008⟩. ⟨hal-02000182⟩
  • Maria Rosa Beccia, Sandrine Sauge-Merle, David Lemaire, Nicolas Brémond, Romain Pardoux, et al.. Thermodynamics of Calcium binding to the Calmodulin N-terminal domain to evaluate site-specific affinity constants and cooperativity. Journal of Biological Inorganic Chemistry, Springer Verlag, 2015, 20 (5), pp.905 - 919. ⟨10.1007/s00775-015-1275-1⟩. ⟨hal-01561163⟩
  • Geoffroy Ferru, Donatien Gomes rodrigues, Laurence Berthon, Olivier Diat, Pierre Bauduin, et al.. Elucidation of the Structure of Organic Solutions in Solvent Extraction by Combining Molecular Dynamics and X-ray Scattering. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2014, 53 (21), pp.5346-5350. ⟨10.1002/anie.201402677⟩. ⟨hal-02005309⟩
  • F. Rodrigues, G. Ferru, L. Berthon, N. Boubals, P. Guilbaud, et al.. New insights into the extraction of uranium(VI) by an N,N-dialkylamide. Molecular Physics, Taylor & Francis, 2014, 112, pp.1362-1374. ⟨10.1080/00268976.2014.902139⟩. ⟨hal-01010443⟩
  • C. Cannes, C. Le Naour, P. Moisy, P. Guilbaud. Specific Interaction between Uranium Anionic Complexes and the Cations of Bis(trifluoromethylsulfonyl)imide Based Ionic Liquids. Inorganic Chemistry, American Chemical Society, 2013, 52, pp.11218-11227. ⟨10.1021/ic4014653⟩. ⟨in2p3-00913078⟩
  • John Jairo Molina, Magali Duvail, Jean-François Dufrêche, Philippe Guilbaud. Atomistic Description of Binary Lanthanoid Salt Solutions: A Coarse-Graining Approach. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (15), pp.4329-4340. ⟨10.1021/jp1110168⟩. ⟨hal-02002579⟩
  • Magali Duvail, Alexandre Ruas, Laurent Venault, Philippe Moisy, Philippe Guilbaud. Molecular Dynamics Studies of Concentrated Binary Solutions of Lanthanide Salts: Structural and Exchange Dynamics. Inorganic Chemistry, American Chemical Society, 2010, 49 (2), pp.519-530. ⟨10.1021/ic9017085⟩. ⟨cea-00870636⟩
  • John Jairo Molina, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Coarse-grained lanthanoid chloride aqueous solutions. Journal of Molecular Liquids, Elsevier, 2010, 153 (2-3), pp.107-111. ⟨10.1016/j.molliq.2010.01.007⟩. ⟨hal-02002610⟩
  • E. Boss, C. den Auwer, C. Berthon, P. Guilbaud, M. S. Grigoriev, et al.. Solvation of UCl62- anionic complex by MeBu3N+, BuMe2IM+, and BuMeIm(+) cations. Inorganic Chemistry, American Chemical Society, 2008, 47, pp.5746-5755. ⟨10.1021/ic702477z⟩. ⟨in2p3-00421531⟩
  • Alexandre Ruas, Philippe Guilbaud, Christophe den Auwer, Christophe Moulin, Jean-Pierre Simonin, et al.. Experimental and Molecular Dynamics Studies of Dysprosium(III) Chloride Ionic Solutions for a Better Representation of the Microscopic Features Used within the Binding Mean Spherical Approximation.. Journal of Physical Chemistry A, American Chemical Society, 2006, 110 (41), pp.11770-11779. ⟨10.1021/jp0609636⟩. ⟨hal-00162065⟩
  • Éric Ansoborlo, Odette Prat, Philippe Moisy, Christophe den Auwer, Philippe Guilbaud, et al.. Actinide speciation in relation to biological processes. Biochimie, Elsevier, 2006, 88 (11), pp.1605 - 1618. ⟨10.1016/j.biochi.2006.06.011⟩. ⟨hal-01930725⟩
  • C. den Auwer, S.D. Conradson, P. Guilbaud, P. Moisy, J. Mustre de Leon, et al.. Investigating actinide molecular adducts from absorption edge spectroscopy. Physica Scripta, IOP Publishing, 2005, T115, pp.891-893. ⟨10.1238/Physica.Topical.115a00891⟩. ⟨in2p3-00273176⟩
  • M. Hirata, P. Guilbaud, M. Dobler, S. Tachimori. Molecular dynamics simulations for the complexation of Ln3+ and UO2 2+ ions with tridentate ligand diglycolamide (DGA).. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2003, 5, ⟨10.1039/B205127N⟩. ⟨cea-02359274⟩
  • S.D. Doyen, D. Doizi, P. Guilbaud, F. Djedaini-Pilard, B. Perly, et al.. Dimerization of xanthene dyes in water: Experimental studies and molecular dynamic simulations. Journal of Physical Chemistry B, American Chemical Society, 2003, 107, pp.13803-13812. ⟨10.1021/jp034845j⟩. ⟨hal-00095428⟩

Conference papers12 documents

  • A. Artese, S. Dourdain, Guilhem Arrachart, S Pellet-Rostaing, N. Boubals, et al.. Use of bifunctional compounds N, P for extracting uranium from aqueous solutions of nitric acid. JNRC-RANC 2019, May 2019, Budapest, Hungary. ⟨cea-02394057⟩
  • A. Thevenet, C. Marie, Dominique Guillaumont, V. Amendola, Philippe Guilbaud. Perrhenate and pertechnetate azacryptates in nitric acid solution. IUPAC 2019- 47th IUPAC World Chemistry Congress, Jul 2019, Paris, France. ⟨cea-02972120⟩
  • A. Artese, Sandrine Dourdain, Guilhem Arrachart, A. Leydier, S Pellet-Rostaing, et al.. Use of bifunctional compounds N, P for uranium purification from aqueous solutions of nitric acid. Balard Conferences 2018, Jun 2018, Montpellier, France. ⟨cea-02339123⟩
  • Magali Duvail, Philippe Guilbaud, M. Bley, S. van Damme, Y.-S. Chen, et al.. Phenomena associated to the transfer of rare earths involved in separation chemistry: from the molecular modelling to chemical engineering. International Conference on Science, Technology and Applications of Rare Earths (ICSTAR-2018), Sep 2018, Tirupati, India. ⟨hal-02004068⟩
  • C. Tamain, T. Dumas, D. Guillaumont, P. Guilbaud, C. Hennig. Actinide hexanuclear cluster [an6(oh)4(o)4(h2o)8]12+ (an = u(iv), np(iv), pu(iv)) structure, synthesis mechanism and physical-chemical properties. actinides 2017, Jul 2017, Sendai, Japan. ⟨hal-02419641⟩
  • A. Paquet, L. Berthon, Philippe Guilbaud, Olivier Diat, N. Boubals. Determination of the structure in organic solution combining experimental characterization and molecular dynamic simulation. ISEC 2017 – The 21st International Solvent Extraction Conference, Nov 2017, Miyazaki, Japan. ⟨cea-02434031⟩
  • N. Boubals, L. Chaneac, T. Dumas, G. Manie, P. Guilbaud. an(iii) and ln(iii) complexation with tpaen selectivity quantification for an americium(iii) separation process.. ISMEC 2016International Symposium on metal complexes, Jun 2016, Barcelone, Spain. ⟨hal-02442284⟩
  • M. Bley, M. Duvail, P. Guilbaud, Jean-François Dufrêche. Study of aggregation phenomena in the organic phase for separation chemistry. 16emes Journees Scientifiques de Marcoule (JSM - 2016), Jun 2016, Bagnols-Sur-Ceze, France. ⟨hal-02441923⟩
  • J. Drader, N. Boubals, N. Zorz, P. Guilbaud, M.-C. Charbonnel, et al.. Investigation under ionizing radiation of An-ligand complexes in solution by electrospray ionization mass spectrometry. JECR (18e JOURNEES D'ETUDES DE LA CHIMIE SOUS RAYONNEMENT), May 2016, Balaruc-Les-Bains, France. ⟨cea-02442306⟩
  • C. Tamain, Y. Cherkaski, T. Dumas, M-C. Charbonnel, P. Guilbaud. Synthesis and structural characterization of actinide(U(VI) or Pu(IV))-monoamide compounds. 9th international conference on f-element 2015, Sep 2015, Oxford, United Kingdom. ⟨cea-02500825⟩
  • Philippe Guilbaud, L. Berthon-Nigond, D. Gomes-Rodrigues, Olivier Diat, R.-J. Ellis. Spéciation moléculaire et supramoléculaire dans les phases organiques : couplage entre DXPA et simulations de dynamique moléculaire. SCF15 - Congrès 2015 de la Société Chimique de France: Chimie et transition énergétique, Jul 2015, Lille, France. ⟨cea-02506789⟩
  • O Pecheur, Dominique Guillaumont, S Dourdain, Philippe Guilbaud, L. Berthon, et al.. Compréhension des mécanismes synergiques pour l'extraction d'Uranium des minerais phosphoriques. Journée Uranium 2014, Nov 2014, Orsay, France. ⟨cea-02948155⟩

Poster communications1 document

  • M. Bley, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Simulating osmotic equilibria A new tool to calculate activity coefficients in solution. Les 17èmes Journées Scientifiques de Marcoule, Jun 2017, Bagnols Sur Ceze, France. CEA Marcoule, 2017. ⟨hal-02417800⟩