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Optimisation numérique et contrôle optimal : applications en chimie moléculaire

Adel Ben Haj Yedder
Autre. Ecole des Ponts ParisTech, 2002. Français. ⟨NNT : ⟩
Theses tel-00005677v1

Photocatalysis and disinfection of water.

S. Pigeot-Remy , F. Simonet , E. Errazuriz-Cerda , J. C. Lazzaroni , D. Atlan , et al.
SPEA 6, Solar Chemistry and Photocatalysis: Environmental Applications, Jun 2010, Praha, Czech Republic
Conference papers hal-00485393v1
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Synthesis of Alkynes and New Transformations Catalyzed by Gold(I) Complexes

Igor Jurberg
Catalysis. Ecole Polytechnique X, 2010. English. ⟨NNT : ⟩
Theses pastel-00570064v1
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Vers une nouvelle stratégie pour l'assemblage interactif de macromolécules

Matthieu Chavent
Autre. Université Henri Poincaré - Nancy 1, 2009. Français. ⟨NNT : 2009NAN10111⟩
Theses tel-01748503v2
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Structural Transitions at Ionic Liquid Interfaces

Benjamin Rotenberg , Mathieu Salanne
Journal of Physical Chemistry Letters, 2015, 6, pp.4978-4985. ⟨10.1021/acs.jpclett.5b01889⟩
Journal articles hal-01287384v1

A secure key management interface with asymmetric cryptography

Marion Daubignard , David Lubicz , Graham Steel
Martin Abadi; Steve kremer. Principles of Security and Trust: Third International Conference, POST 2014, Held as Part of the European Joint Conferences on Theory and Practice of Software, ETAPS 2014, Grenoble, France, April 5-13, 2014, Proceedings , 8414, Springer, pp.63-82, 2014, Lecture notes in computer science, 978-3-642-54791-1. ⟨10.1007/978-3-642-54792-8_4⟩
Book sections hal-01399292v1

Labeling of native proteins with fluorescent RAFT polymer probes: application to the detection of a cell surface protein using flow cytometry

D. Duret , Z. Haftek-Terreau , M. Carretier , T. Berki , C. Ladavière , et al.
Polymer Chemistry, 2018, 9 (14), pp.1857-1868
Journal articles hal-02010422v1
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Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

Maria Kadukova , Sergei Grudinin
Journal of Computer-Aided Molecular Design, 2017, 31 (10), pp.943-958. ⟨10.1007/s10822-017-0068-8⟩
Journal articles hal-01591154v1
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The Use of Lane-Centering to Ensure the Visible Light Communication Connectivity for a Platoon of Autonomous Vehicles

Mohammad Abualhoul , Edgar Talavera Munoz , Fawzi Nashashibi
ICVES’2018 - 20th IEEE International Conference on Vehicular Electronics and Safety, Sep 2018, Madrid, Spain
Conference papers hal-01888549v1

Spontaneous Transformation of Thin Films into ZnO Nanowire Arrays with High Structural and Optical Quality

S. Guillemin , E. Sarigiannidou , E. Appert , F. Donatini , G. Renou , et al.
MRS 2015 Fall Meeting, Nov 2015, Boston, United States
Conference papers hal-02016959v1

Synthesis, solid-state molecular structure and polymerization of a trans-substituted meso-porphyrin with thienyl pendant arms.

Christine Paul-Roth , Julien Letessier , Sandrine Juillard , Gérard Simonneaux , Thierry Roisnel , et al.
Journal of Molecular Structure, 2008, pp.105-112
Journal articles hal-00356414v1
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Easy and Quantitative Access to Fe(II) and Fe(III) Diarylalkynyl-phosphine Oxides Featuring [Fe(dppe)Cp*] Endgroups: Terminal P=O Functionality Blocks the Dimerisation of the Fe(III) Derivatives

Ayham Tohmé , Stéphanie Essafi , Arnaud Bondon , Thierry Roisnel , Duncan Carmichael , et al.
Chemical Communications, 2015, 51 (7), pp.1316-1319. ⟨10.1039/c4cc08993f⟩
Journal articles hal-01134565v1
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Dispiroacridine-indacenobisthiophenes positional isomers: Impact of the bridge on the physicochemical properties

Jean-David Peltier , Benoît Heinrich , Bertrand Donnio , Olzhas A Ibraikulov , Thomas Heiser , et al.
Materials Chemistry Frontiers, 2022, 6, pp.225-236. ⟨10.1039/D1QM01393A⟩
Journal articles hal-03718869v1
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Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

Siwar Badreddine , Igor Chollet , Laura Grigori
Preprints, Working Papers, ... hal-03826012v1
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Antibacterial and Bonding Properties of Universal Adhesive Dental Polymers Doped with Pyrogallol

Naji Kharouf , Ammar Eid , Louis Hardan , Rim Bourgi , Youri Arntz , et al.
Polymers, 2021, 13 (10), pp.1538. ⟨10.3390/polym13101538⟩
Journal articles hal-03431843v1

Wavelength conversion in Er^3+ doped chalcogenide fibers for optical gas sensors

A.L. Pelé , A. Braud , J.L. Doualan , R. Chahal , Virginie Nazabal , et al.
Optics Express, 2015, 23 (4), pp.4163-72. ⟨10.1364/OE.23.004163⟩
Journal articles hal-01142020v1

Radiolysis of phenylalanine in solution with Bragg-Peak energy protons

N. Ludwig , T. Kusumoto , C. Galindo , P. Peaupardin , S. Pin , et al.
Radiation Measurements, 2018, 116, pp.55 - 59. ⟨10.1016/j.radmeas.2018.07.007⟩
Journal articles cea-01855331v1
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Prediction of New Bioactive Molecules using a Bayesian Belief Network

Ammar Abdo , Valérie Leclère , Philippe Jacques , Naomie Salim , Maude Pupin
Journal of Chemical Information and Modeling, 2014, 54 (1), pp.30-36. ⟨10.1021/ci4004909⟩
Journal articles hal-01090611v1
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Surface-enhanced resonance Raman spectroscopy of heme proteins on a gold grid electrode

Natalia Grytsyk , Zahia Boubegtiten-Fezoua , Nicolas Javahiraly , Fatima Omeis , Eloise Devaux , et al.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2020, 230, ⟨10.1016/j.saa.2020.118081⟩
Journal articles hal-03341533v1
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Thiazole-based scaffolding for high performance solar cells

Ibrahim Bulut , Patricia Chavez Vasquez , Antoine Mirloup , Quentin Huaulmé , Anne Hebraud , et al.
Journal of Materials Chemistry C, 2016, 4 (19), pp.4296-4303. ⟨10.1039/C6TC00531D⟩
Journal articles hal-03146243v1
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Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional

Daniel Borgis , Sohvi Luukkonen , Luc Belloni , Guillaume Jeanmairet
Journal of Chemical Physics, 2021, 155 (2), pp.024117. ⟨10.1063/5.0057506⟩
Journal articles hal-03454131v1
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MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Alessandro Coretti , Camille Bacon , Roxanne Berthin , Alessandra Serva , Laura Scalfi , et al.
Journal of Chemical Physics, 2022, 157 (18), pp.184801. ⟨10.1063/5.0101777⟩
Journal articles hal-03843736v1
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Lipophilic quinolone derivatives: Synthesis and in vitro antibacterial evaluation

Elodie Sadowski , Beatrice Bercot , Aurélie Chauffour , Catherine Gomez , Emmanuelle Varon , et al.
Bioorganic & Medicinal Chemistry Letters, 2022, 55, pp.128450. ⟨10.1016/j.bmcl.2021.128450⟩
Journal articles hal-03448562v2
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Selection of green solvents for organic photovoltaics by reverse engineering

Jing Wang , Ivonne Rodriguez-Donis , Sophie Thiebaud-Roux , Olzhas A Ibraikulov , Nicolas Leclerc , et al.
Molecular Systems Design & Engineering, 2021, ⟨10.1039/x0xx00000x⟩
Journal articles hal-03795547v1
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Photovoltaïque Organique

Nicolas Leclerc , Patrick Leveque
Techniques de l'Ingénieur. Sécurité des systèmes d'information, 2021,
Journal articles hal-03795567v1
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Bio-based admixture with substances derived from bacteria for the durability of concrete

Francoise Feugeas , Mai T.T. Tran , Sara Chakri
F. Pacheco-Torgal; R. Melchers; X. Shi; N. de Belie; K. Van Tittelboom; A. Saez. Eco-efficient Repair and Rehabilitation of Concrete Infrastructures, Elsevier, pp.569-587, 2018, Woodhead Publishing Series in Civil and Structural Engineering, 9780081021811. ⟨10.1016/B978-0-08-102181-1.00020-4⟩
Book sections hal-02387650v1

Impact of the local atomic structure on the thermal conductivity of amorphous Ge2Sb2Te5

Mohammed Guerboub , Steve Dave Wansi Wendji , Carlo Massobrio , Assil Bouzid , Mauro Boero , et al.
Journal of Chemical Physics, 2023, 158, ⟨10.1063/5.0139590⟩
Journal articles hal-04014339v1

Optimization of a New ZnO Nanorods Hydrothermal Synthesis Method for Solid State Dye Sensitized Solar Cells Applications

Laurent Schlur , Anne Carton , Patrick Leveque , Daniel Guillon , Genevieve Pourroy
Journal of Physical Chemistry C, 2013, 117 (6), pp.2993-3001. ⟨10.1021/jp305787r⟩
Journal articles hal-03970847v1

Transductive Ridge Regression in Structure-activity Modeling

Gilles Marcou , Grace Delouis , Olena Mokshyna , Dragos Horvath , Nicolas Lachiche , et al.
Molecular Informatics, 2018, 37 (1-2), pp.1700112. ⟨10.1002/minf.201700112⟩
Journal articles hal-02347107v1

Effect of Aryl Substituents and Fluorine Addition on the Optoelectronic Properties and Organic Solar Cell Performance of a High Efficiency Indacenodithienothiophene- alt -Quinoxaline π-Conjugated Polymer

Elisavet Tatsi , Michael Spanos , Athanasios Katsouras , Benedetta Squeo , Olzhas Ibraikulov , et al.
Macromolecular Chemistry and Physics, 2019, 220 (2), pp.1800418. ⟨10.1002/macp.201800418⟩
Journal articles hal-02398461v1