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Nanoscale Chemical Evolution of Silicon Negative Electrodes Characterized by Low-Loss STEM-EELS

Maxime Boniface , Lucille Quazuguel , Julien Danet , Dominique Guyomard , Philippe Moreau , et al.
Journal articles cea-01396402v1

Three-dimensional model of cytochrome P450 human aromatase

Cédric Logé , Marc Le Borgne , Pascal Marchand , Jean-Michel Robert , Guillaume Le Baut , et al.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2005, 20 (6), pp.581 - 585. ⟨10.1080/14756360500220574⟩
Journal articles hal-01689233v1
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NMR-based metabolomics and fluxomics: developments and future prospects

Patrick Giraudeau
Journal articles hal-02507869v1
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Machine Learning Guided Design of Single–Phase Hybrid Lead Halide White Phosphors

Hailong Yuan , Luyuan Qi , Michael Paris , Fei Chen , Qiang Shen , et al.
Advanced Science, 2021, 8 (19), pp.2101407. ⟨10.1002/advs.202101407⟩
Journal articles hal-03306453v1

Linear and Convergent Syntheses of Bifunctional Hydroxy-Bisphosphonic Compounds as Potential Bone-Targeting Prodrugs

Sameh Aoun , Pierre Sierocki , Jacques Lebreton , Monique Mathé-Allainmat
Synthesis: Journal of Synthetic Organic Chemistry, 2019, 51 (18), pp.3556-3566. ⟨10.1055/s-0037-1611540⟩
Journal articles hal-02395095v1

Why a cathodic activation by silver interface? Facile reductive homocoupling of 1-iodoalkanes

Philippe Poizot , Lydia Laffont-Dantras , Jacques Simonet
Electrochemistry Communications, 2008, 10 (6), pp.864-867. ⟨10.1016/j.elecom.2008.03.016⟩
Journal articles istex hal-00283485v1

Prediction of water contents in biscuits using near infrared hyperspectral imaging spectroscopy and chemometrics

Eloïse Lancelot , Philippe Courcoux , S. Chevallier , Alain E Le-Bail , Benoit B. Jaillais
Journal of Near Infrared Spectroscopy, 2020, 28 (3), pp.140-147. ⟨10.1177/0967033520902538⟩
Journal articles hal-02465806v1
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Thermodynamic interpretation of neptunium coprecipitation in uranophane for application to the Yucca Mountain repository

W.M. Murphy , Bernd Grambow
Radiochimica Acta, 2008, 96, pp.563-567. ⟨10.1524/ract.2008.1537⟩
Journal articles in2p3-00346838v1
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The electric double layer has a life of its own

Céline Merlet , David T. Limmer , Mathieu Salanne , René van Roij , Paul A Madden , et al.
Journal of Physical Chemistry C, 2014, 118 (32), pp.18291. ⟨10.1021/jp503224w⟩
Journal articles hal-00968897v2
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Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT

Cloé Azarias , Ivan Duchemin , Xavier Blase , Denis Jacquemin
Journal of Chemical Physics, 2017, 146 (3), pp.034301. ⟨10.1063/1.4974097⟩
Journal articles hal-01633511v1
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Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography–High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics

Jean-Luc Wolfender , Jean-Marc Nuzillard , Justin van Der Hooft , Jean-Hugues Renault , Samuel Bertrand
Analytical Chemistry, 2019, 91 (1), pp.704-742. ⟨10.1021/acs.analchem.8b05112⟩
Journal articles hal-01992885v1
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Insights into Li+ , Na+ , and K+ Intercalation in Lepidocrocite-Type Layered TiO 2 Structures

Kyle G Reeves , Jiwei Ma , Mika Fukunishi , Mathieu Salanne , Shinichi Komaba , et al.
ACS Applied Energy Materials, 2018, 1 (5), pp.2078 - 2086. ⟨10.1021/acsaem.8b00170⟩
Journal articles hal-01920966v1
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The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water Versus Coordinating Water

Nicolas Dubouis , Alessandra Serva , Elodie Salager , Michael Deschamps , Mathieu Salanne , et al.
Journal of Physical Chemistry Letters, 2018, 9 (23), pp.6683-6688. ⟨10.1021/acs.jpclett.8b03066⟩
Journal articles hal-01955801v1

A 3D-QSAR CoMSIA study on 3-azolylmethylindoles as anti-leishmanial agents

Francis Giraud , Cédric Logé , Marc Le Borgne , Francis Pagniez , Young Min Na , et al.
SAR and QSAR in Environmental Research, 2006, 17 (3), pp.299 - 309. ⟨10.1080/10659360600787494⟩
Journal articles hal-01689291v1
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Two-Dimensional Vanadium Carbide (MXene) as Positive Electrode for Sodium-Ion Capacitors

Yohan Dall’agnese , Pierre-Louis Taberna , Yury Gogotsi , Patrice Simon
Journal of Physical Chemistry Letters, 2015, vol. 6 (n° 12), pp. 2305-2309. ⟨10.1021/acs.jpclett.5b00868⟩
Journal articles hal-01447700v1

Successes and pitfalls in automated dereplication strategy using liquid chromatography coupled to mass spectrometry data: A CASMI 2016 experience

Samuel Bertrand , Yann Guitton , Catherine C Roullier
Phytochemistry Letters, 2017, 21, pp.297-305. ⟨10.1016/j.phytol.2016.12.025⟩
Journal articles hal-03015840v1
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Two-scale analysis of transient diffusion problems through a homogenized enriched continuum

A. Waseem , T. Heuzé , L. Stainier , M.G.D. G D Geers , V.G. G Kouznetsova
European Journal of Mechanics - A/Solids, 2021, 87, pp.104212. ⟨10.1016/j.euromechsol.2021.104212⟩
Journal articles hal-03164888v1

Interactions between Nuclear Fuel and Water at the Fukushima Daiichi Reactors

Bernd Grambow , C. Poinssot
Elements, 2012, 8, pp.213-219. ⟨10.2113/gselements.8.3.213⟩
Journal articles in2p3-00721815v1
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Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases

Iglika Lessigiarska , Yunhui Peng , Ivanka Tsakovska , Petko Alov , Nathalie Lagarde , et al.
Molecules, 2021, 26 (21), pp.6360. ⟨10.3390/molecules26216360⟩
Journal articles hal-03448343v1

La radiochimie fondamentale et appliquée au service de l'environnement, de l'industrie et de la médecine nucléaire

Bernd Grambow
Journées Nationales de Radiochimie et Chimie Nucléaire, Sep 2008, Strasbourg, France
Conference papers in2p3-00420974v1
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In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors

John M. Griffin , Alexander C. Forse , Wan-Yu Tsai , Pierre-Louis Taberna , Patrice Simon , et al.
Nature Materials, 2015, vol. 14 (n° 8), pp. 812-819. ⟨10.1038/NMAT4318⟩
Journal articles hal-01447659v1

Mobile fission and activation products in nuclear waste disposal

Bernd Grambow
Journal of Contaminant Hydrology, 2008, 102, pp.180-186. ⟨10.1016/j.jconhyd.2008.10.006⟩
Journal articles istex in2p3-00369027v1
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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⟩
Journal articles in2p3-01447927v1
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La radiochimie théorique comme composante essentielle de la radiochimie moléculaire :

Rémi Maurice , Eléonor Acher , Nicolas Galland , André Severo Pereira Gomes , Dominique Guillaumont , et al.
L'Actualité Chimique, 2021, 460-461, pp.42-47
Journal articles hal-03172988v1

Measurement and modeling of the surface potential evolution of hydrated cement pastes as a function of degradation

I. Pointeau , Pascal E. Reiller , N. Macé , Catherine Landesman , N. Coreau
Journal of Colloid and Interface Science, 2006, 300, pp.33-44. ⟨10.1016/j.jcis.2006.03.018⟩
Journal articles istex in2p3-00089893v1

Modelling polonium complexes in solution

Nadiya Zhutova , Éric Renault , Florent Réal , Valérie Vallet , Rémi Maurice
SolvATE2021: Scientific Meeting of the GdR SolvATE, Dec 2021, Villeneuve d'Ascq, France. , 2021
Conference poster hal-03470684v1
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Multifield variational formulations of diffusion initial boundary value problems

Jorge de Anda Salazar , Thomas Heuzé , Laurent Stainier
Continuum Mechanics and Thermodynamics, 2021, 33, pp.563-589. ⟨10.1007/s00161-020-00931-y⟩
Journal articles hal-02985027v1
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The electrochemical storage mechanism in oxy-hydroxyfluorinated anatase for sodium-ion batteries

Wei Li , Mika Fukunishi , Benjamin J Morgan , Olaf Borkiewicz , Valérie Pralong , et al.
Inorganic Chemistry Frontiers, 2018, 5 (5), pp.1100-1106. ⟨10.1039/C8QI00185E⟩
Journal articles hal-02138412v1

« Radiochimie théorique » : Calculs de chimie quantique et analyses de liaisons chimiques d’intérêt en radiochimie

Rémi Maurice , Florent Réal , Valérie Vallet , Jérôme Roques
JECRRC 2018 : 1ères Journées d’Etude de la Chimie sous Rayonnement et de la Radiochimie, May 2018, Strasbourg, France
Conference papers hal-01805026v1

A copper-palladium alloy usable as cathode material mode of formation and first examples of catalytic cleavages of carbon-halide bonds

Jacques Simonet , Philippe Poizot , Lydia Laffont
Journal of electroanalytical chemistry and interfacial electrochemistry, 2006, 591 (1), pp.19-26. ⟨10.1016/j.jelechem.2006.03.021⟩
Journal articles istex hal-00189931v1