Articles in peer-review journals

Publications HAL de la structure 390982;406212

2017

Journal articles

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Alain Ramon Miranda-Quintana, Marco Martinez Gonzalez, David Hernandez-Castillo, Luis A Montero-Cabrera, Paul W. Ayers, et al.. Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study . Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23 (8), pp.Article Number: 236 〈10.1007/s00894-017-3382-0 〉. 〈hal-01579378〉
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Emmanuelle Bignon, Marco Marazzi, Vanessa Besancenot, Hugo Gattuso, Guillaume Drouot, et al.. Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process . Scientific Reports, Nature Publishing Group, 2017, 7, pp. Article Number: 8885 〈10.1038/s41598-017-09406-8〉. 〈hal-01583391〉
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Vincent Tognetti, Frédéric Guégan, Dominique Luneau, Henry Chermette, Christophe Morell, et al.. Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2017, 136 (7), pp. Article Number: 85 〈10.1007/s00214-017-2116-9〉. 〈hal-01574762〉
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Josiane Saadé, Nina Declas, Pedro Marote, Claire Bordes, Karine Faure. Functionalization of cyclic olefin copolymer substrates with polyethylene glycol diacrylate for the in situ synthesis of immobilized nanoparticles. Journal of Materials Science, Springer Verlag, 2017, 52 (8), pp.4509-4520. 〈10.1007/s00216-016-0066-z〉. 〈hal-01515322〉
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R. Ben Said, K. Essalah, K. Sanhoury, K. Hussein, S. Boughdiri, et al.. DFT study of isomers of the ruthenium dihydride complex RuH2(CO)2(AsMe2Ph)2. Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23 (4), pp. Article Number: 146 〈10.1007/s00894-017-3263-6〉. 〈hal-01539994〉
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François Dehez, Hugo Gattuso, Emmanuelle Bignon, Christophe Morell, Claire Bordes, et al.. Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates. Nucleic Acids Research, Oxford University Press (OUP): Policy C - Option B, 2017, 45 (7), pp.3654-3662. 〈10.1093/nar/gkx148〉. 〈hal-01518937〉
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Emmanuelle Bignon, Tomáš Dršata, Christophe Morell, Filip Lankaš, Elise Dumont. Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics. Nucleic Acids Research, Oxford University Press (OUP): Policy C - Option B, 2017, 45 (4), pp.2188-2195. 〈10.1093/nar/gkw1253〉. 〈hal-01449663〉
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2016

Journal articles

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Amélie Levet, Claire Bordes, Yohann Clément, Pierre Mignon, Christophe Morell, et al.. Acute aquatic toxicity of organic solvents modeled by QSARs.. Journal of Molecular Modeling, Springer Verlag (Germany), 2016, 22 (12), pp.article number: 288. 〈10.1007/s00894-016-3156-0〉. 〈hal-01546591〉
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Noura Khemiri, Sabri Messaoudi, Fathi Moussa, Manef Abderrabba, Henry Chermette. Theoretical investigation on two different mechanisms of fulleropyrrolidine formation . Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2016, 135 (12), pp.265. 〈10.1007/s00214-016-2018-2〉. 〈hal-01539745〉
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Marion Lascol, Sandrine Bourgeois, Florence Guillière, Marie Hangouët, Guy Raffin, et al.. Pectin gelation with chlorhexidine: Physico-chemical studies in dilute solutions . Carbohydrate Polymers, Elsevier, 2016, 150, pp.159-165. 〈10.1016/j.carbpol.2016.05.014〉. 〈hal-01355493〉
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Alvaro Garcia-Cruz, Michael Lee, Pedro Marote, Nadia Zine, Monique Sigaud, et al.. Large area in situ fabrication of poly(pyrrole)-nanowires on flexible thermoplastic films using nanocontact printing . Materials Research Express, IOP Publishing Ltd, 2016, 3 (8), pp. Article Number: 085018 〈10.1088/2053-1591/3/8/085018〉. 〈hal-01544850〉
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Alexandra Gaubert, Jéremy Jeudy, Blandine Rougemont, Claire Bordes, Jérôme Lemoine, et al.. Identification and absolute quantification of enzymes in laundry detergents by liquid chromatography tandem mass spectrometry. Analytical and Bioanalytical Chemistry, Springer Verlag, 2016, 408 (17), pp.4669-4681. 〈10.1007/s00216-016-9550-8〉. 〈hal-01356216〉
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Amélie Levet, Claire Bordes, Yohann Clément, Pierre Mignon, Henry Chermette, et al.. Solvent database and in silico classification: A new methodology for solvent substitution and its application for microencapsulation process.. International Journal of Pharmaceutics, Elsevier, 2016, 509 (1-2), pp.454-464. 〈10.1016/j.ijpharm.2016.05.053〉. 〈hal-01546589〉
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Alexandra Gaubert, Patrick Jame, Claire Bordes, Yohann Clément, Sylvie Guibert, et al.. Determination of surfactant bio-sourced origin by isotope-ratio mass spectrometry . Rapid Communications in Mass Spectrometry, Wiley, 2016, 30 (9), pp.1108-1114 〈10.1002/rcm.7537〉. 〈hal-01363813〉
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Alexandra Gaubert, Yohann Clément, Anne Bonhommé, Benjamin Burger, Delphine Bouveresse, et al.. Characterization of surfactant complex mixtures using Raman spectroscopy and signal extraction methods: application to laundry detergent deformulation . Analytica Chimica Acta, Elsevier Masson, 2016, 915, pp.36-48. 〈10.1016/j.aca.2016.02.016〉. 〈hal-01363725〉
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Walid Lamine, Salima Boughdiri, Lorraine Christ, Christophe Morell, Henry Chermette. Ill-advised self-interaction contribution in modelling anionic attack along a reaction path . Molecular Physics, Taylor & Francis, 2016, 114 (7-8), pp.1066-1075. 〈10.1080/00268976.2015.1134828〉. 〈hal-01363810〉
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Florian Trichard, Valérian Forquet, Nicole Delépine-Gilon, C. P. Lienemann, Franck Baco-Antoniali. Detection and quantification of sulfur in oil products by laser-induced breakdown spectroscopy for on-line analysis. Spectrochimica Acta Part B: Atomic Spectroscopy, Elsevier, 2016, 118, pp.72-80. 〈10.1016/j.sab.2016.02.001〉. 〈hal-01357854〉
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Valérian Forquet, Carles Miro Sabate, Henry Chermette, Guy Jacob, Emilie Labarthe, et al.. Energetic properties of rocket propellants evaluated through the computational determination of heats of formation of nitrogen-rich compounds . Chemistry - An Asian Journal, Wiley-VCH Verlag, 2016, 11 (5), pp.730-744. 〈hal-01363814〉
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Elise Dumont, Raymond Grüber, Emmanuelle Bignon, Christophe Morell, Yohann Moreau, et al.. Probing the reactivity of singlet oxygen with purines. Nucleic Acids Research, Oxford University Press (OUP): Policy C - Option B, 2016, 44 (1), pp.56-62. 〈10.1093/nar/gkv1364〉. 〈hal-01271590〉
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Josiane Saadé, Claire Bordes, Guy Raffin, Marie Hangouët, Pédro Marote, et al.. Response surface optimization of miniemulsion: application to UV synthesis of hexyl acrylate nanoparticles. Colloid and Polymer Science, Springer Verlag, 2016, 294 (1), pp.27-36. 〈10.1007/s00396-015-3778-2〉. 〈hal-01252718〉
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Frédéric Guégan, Vincent Tognetti, Laurent Joubert, Henry Chermette, Dominique Luneau, et al.. Towards the first theoretical scale of the trans effect in octahedral complexes . Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (2), pp.982-990 〈10.1039/c5cp04982b〉. 〈hal-01363811〉
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Elise Dumont, Raymond Grüber, Emmanuelle Bignon, Christophe Morell, Juan Aranda, et al.. Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix. Chemistry - A European Journal, Wiley-VCH Verlag, 2016, 22 (35), pp.12358-12362. 〈10.1002/chem.201601287〉. 〈hal-01449792〉
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Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, François Dehez, Alexandros G. Georgakilas, et al.. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion. Nucleic Acids Research, Oxford University Press (OUP): Policy C - Option B, 2016, 44 (18), pp.8588-8599. 〈10.1093/nar/gkw773〉. 〈hal-01449647〉
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Hugo Gattuso, Elodie Durand, Emmanuelle Bignon, Christophe Morell, Alexandros G. Georgakilas, et al.. Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity. Journal of Physical Chemistry Letters, American Chemical Society, 2016, 7 (19), pp.3760-3765. 〈10.1021/acs.jpclett.6b01692〉. 〈hal-01449702〉
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2015

Journal articles

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Philippe Namour, Laurent Schmitt, Bertrand Moulin, Guillaume Fantino, Claire Bordes, et al.. Stream pollution concentration in riffle geomorphic units (Yzeron basin, France). Science of the Total Environment, Elsevier, 2015, 532, pp.80-90. 〈10.1016/j.scitotenv.2015.05.057〉. 〈hal-01229882〉
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Christophe Morell, Vincent Tognetti, Emmanuelle Bignon, Elise Dumont, Noemi Hernandez-Haro, et al.. Insights into the chemical meanings of the reaction electronic flux . Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2015, 134 (11), pp.1-7 〈10.1007/s00214-015-1730-7〉. 〈hal-01363815〉
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Vincent Tognetti, Christophe Morell, Laurent Joubert. Atomic electronegativities in molecules. Chemical Physics Letters, Elsevier, 2015, 635, pp.111-115. 〈10.1016/j.cplett.2015.05.057〉. 〈hal-01229352〉
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Karim Harrath, Khaled Essalah, Christophe Morell, Henry Chermette, Salima Boughdiri. Allylation of active methylene compounds with cyclic Baylis–Hillman alcohols: a DFT study. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2015, 134, pp.98. 〈10.1007/s00214-015-1694-7〉. 〈hal-01363816〉
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Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, Elise Dumont, Antonio Monari. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside. Chemistry - A European Journal, Wiley-VCH Verlag, 2015, 21 (32), pp.11509-11516. 〈10.1002/chem.201501212〉. 〈hal-01186698〉
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Christelle Machon, Claire Bordes, Emeline Cros-Perrial, Yohann Clément, Lars Petter Jordheim, et al.. Use of designed experiments for the improvement of pre-analytical workflow for the quantification of intracellular nucleotides in cultured cell lines. Journal of Chromatography A, Elsevier, 2015, 1405, pp.116-125. 〈10.1016/j.chroma.2015.05.069〉. 〈hal-01186720〉
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Douniazed Hannachi, Nadia Ouddai, Michel Arotcarena, Henry Chermette. Addition-fragmentation reaction of thionoesters compounds in free-radical polymerisation (methyl, cyanomethyl and styryl): a theoretical interpretation. Molecular Physics, Taylor & Francis, 2015, 113 (13-14), pp.1541-1550. 〈10.1080/00268976.2014.985275〉. 〈hal-01186730〉
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Vincent Tognetti, Christophe Morell, Laurent Joubert. Quantifying electro/nucleophilicity by partitioning the dual descriptor. Journal of Computational Chemistry, Wiley, 2015, 36 (9), pp.649-659. 〈10.1002/jcc.23840〉. 〈hal-01187097〉
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Emmanuelle Lemerya, Stéphanie Briançon, Yves Chevalier, Claire Bordes, Thierry Oddos, et al.. Skin toxicity of surfactants: structure/toxicity relationships. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2015, 469, pp.166-179. 〈10.1016/j.colsurfa.2015.01.019〉. 〈hal-01187182〉
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Maggy Hologne, Alexandra Gaubert, Sanglar Corinne, Claire Bordes, Hervé Casabianca. New validation of molecular mass measurements by means of 2D DOSY H-1 NMR experiments: application to surfactants. Comptes Rendus Chimie, Elsevier Masson, 2015, 18 (2), pp.187-192. 〈10.1016/j.crci.2014.05.008〉. 〈hal-01187373〉
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F. Berthias, L. Feketeová, Henry Chermette, Valérian Forquet, Christophe Morell, et al.. Proton Migration in Clusters Consisting of Protonated Pyridine Solvated by Water Molecules. ChemPhysChem, Wiley-VCH Verlag, 2015, 16 (15), pp.3151-3155. 〈10.1002/cphc.201500465〉. 〈in2p3-01214889〉
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H. Abdoul-Carime, F. Berthias, L. Feketeová, M. Marciante, F. Calvo, et al.. Velocity of a Molecule Evaporated from a Water Nanodroplet: Maxwell–Boltzmann Statistics versus Non-Ergodic Events. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2015, 54, pp.14685-14689. 〈http://onlinelibrary.wiley.com/doi/10.1002/anie.201505890/epdf〉. 〈10.1002/anie.201509527〉. 〈in2p3-01220955〉
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Shashank Mishra, Erwann Jeanneau, Stéphane Mangematin, Henry Chermette, Mahboubeh Poor Kalhor, et al.. A convenient and quantitative route to Sn(IV)-M M = Ti(IV), Nb(V), Ta(V) heterobimetallic precursors for dense mixed-metal oxide ceramics. Dalton Transactions, Royal Society of Chemistry, 2015, 44 (15), pp.6848-6862. 〈10.1039/c5dt00339c〉. 〈hal-01149007〉
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Franck De Proft, Valérian Forquet, Benjamin Ourri, Henry Chermette, Paul Geerlings, et al.. Investigation of electron density changes at the onset of a chemical reaction using the state-specific dual descriptor from conceptual density functional theory. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (14), pp.9359-9368. 〈10.1039/c4cp05454g〉. 〈hal-01187515〉
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H. Abdoul-Carime, B. Farizon, M. Farizon, J.-C. Mulatier, J.-P. Dutasta, et al.. Solution vs. gas phase relative stability of the choline/acetylcholine cavitand complexes. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17, pp.4448-4457. 〈10.1039/C4CP05354K〉. 〈in2p3-01111476〉
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Leila Sadr-Arani, Pierre Mignon, Henry Chermette, Hassan Abdoul-Carime, Bernadette Farizon, et al.. Fragmentation mechanisms of cytosine, adenine and guanine ionized bases. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 11 (17), pp.11813-11826. 〈10.1039/c5cp00104h〉. 〈hal-01187073〉
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2014

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Linda Ayouni-Derouiche, Marie Méjean, Pauline Gay, Marie-Laure Milliand, Pierre Lantéri, et al.. Development of efficient digestion procedures for quantitative determination of cobalt and molybdenum catalyst residues in carbon nanotubes. Carbon, Elsevier, 2014, 80, pp.59-67. 〈10.1016/j.carbon.2014.08.025〉. 〈hal-01077228〉
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Stéphane Chambrey, Mahboubeh Poor Kalhor, Henry Chermette, Danielle Ballivet-Tkatchenko. Can Green Dimethyl Carbonate Synthesis be More Effective? A Catalyst Recycling Study Benefiting from Experimental Kinetics and DFT Modeling. Journal of the Brazilian Chemical Society, Sociedade Brasileira de Química, SBQ, 2014, 25 (12), pp.2350-2355. 〈10.5935/0103-5053.20140244〉. 〈hal-01119565〉
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Frédéric Guégan, Pierre Mignon, Vincent Tognetti, Laurent Joubert, Christophe Morell. Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (29), pp.15558-69. 〈10.1039/c4cp01613k〉. 〈hal-01071829〉
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Mahboubeh Poor Kalhor, Raphael Wischert, Christophe Copéret, Henry Chermette. Reactivity of silica supported zirconium hydride towards N2O and CO2 probe molecules: a computational point of view. New Journal of Chemistry, Royal Society of Chemistry, 2014, 38 (8), pp.3717-3721. 〈10.1039/c4nj00352g〉. 〈hal-01071872〉
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Leila Sadr-Arani, Pierre Mignon, Henry Chermette, Thierry Douki. Theoretical and experimental study of the fragmentation of protonated uracil. Chemical Physics Letters, Elsevier, 2014, 605, pp.108-114. 〈10.1016/j.cplett.2014.05.026〉. 〈hal-01071776〉
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André Grand, Nelly Jorge, Christophe Morell, Jean Cadet, Leif A. Eriksson. Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product. Journal of Molecular Modeling, Springer Verlag (Germany), 2014, 20 (6), pp.2290-2299. 〈10.1007/s00894-014-2290-9〉. 〈hal-01071816〉
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Alvaro Garcia-Cruz, Nadia Zine, Monique Sigaud, Michael Lee, Pedro Marote, et al.. Controlled poly(pyrrole) patterning by microcontact printing on glass and poly(ethylene terephthalate) substrates. Microelectronic Engineering, Elsevier, 2014, 121, pp.161-174. 〈10.1016/j.mee.2014.05.038〉. 〈hal-01070754〉
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Agnèta Kiss, Claire Bordes, Corinne Buisson, Françoise Lasne, Pierre Lanteri, et al.. Data-handling strategies for metabonomic studies: example of the UHPLC-ESI/ToF urinary signature of tetrahydrocannabinol in humans. Analytical and Bioanalytical Chemistry, Springer Verlag, 2014, 406 (4), pp.1209-1219. 〈10.1007/s00216-013-7199-0〉. 〈hal-00850196〉
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Cécile Gavory, Robin Abderrahmen, Claire Bordes, Didier Chaussy, Mohamed Naceur Belgacem, et al.. Encapsulation of a pressure sensitive adhesive by spray-cooling: Optimum formulation and processing conditions. Advanced Powder Technology, Elsevier, 2014, 25 (1), pp.292-300. 〈10.1016/j.apt.2013.05.004〉. 〈hal-00991047〉
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Nadjia Latelli, Nadia Ouddai, Michel Arotçaréna, Philippe Chaumont, Pierre Mignon, et al.. Mechanism of addition-fragmentation reaction of thiocarbonyls compounds in free radical polymerization. A DFT study. Computational and Theoretical Chemistry, 2014, 1027, pp.39-45. 〈10.1016/j.comptc.2013.10.018〉. 〈hal-00915177〉
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Brigitte Pépin-Donat, Chiara Ottone, Christophe Morell, Christian Lombard, Aurélie Lefrançois, et al.. Electron Paramagnetic Resonance Tracing of Electronic Transfers in Push-Pull Copolymers/PCBM or Nanocrystal Composites. Journal of Physical Chemistry C, American Chemical Society, 2014, 118 (35), pp.20647-20660. 〈10.1021/jp505812q〉. 〈hal-01070725〉
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Christophe Morell, Jose L Gazquez, Alberto Vela, Frédéric Guégan, Henry Chermette. Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (48), pp.26832-26842. 〈10.1039/c4cp03167a〉. 〈hal-01230136〉
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2013

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Pierre Mignon, Mariona Sodupe. Structural behaviors of cytosine into the hydrated interlayer of Na+-montmorillonite clay. An ab initio molecular dynamics study. Journal of Physical Chemistry C, American Chemical Society, 2013, 117 (49), pp.26179-26189. 〈10.1021/jp4103383〉. 〈hal-00954677〉
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Nesrine Ouadah, Tristan Doussineau, Thomas Hamada, Philippe Dugourd, Claire Bordes, et al.. Correlation between the charge of polymer particles in solution and in the gas phase investigated by zeta-potential measurements and electrospray ionization mass spectrometry.. Langmuir, American Chemical Society, 2013, 29 (46), pp.14074-14081. 〈10.1021/la403516y〉. 〈hal-00954668〉
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Amélie Levet, Claire Bordes, Yohann Clément, Pierre Mignon, Henry Chermette, et al.. Quantitative structure-activity relationship to predict acute fish toxicity of organic solvents. Chemosphere, Elsevier, 2013, 93 (6), pp.1094-1103. 〈10.1016/j.chemosphere.2013.06.002〉. 〈hal-00877400〉
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Eric Brémond, Mahboubeh Poor Kalhor, Diane Bousquet, Pierre Mignon, Ilaria Ciofini, et al.. Assessing the performances of some recently proposed density functionals for the description of organometallic structures. Thereotical chemistry accounts, 2013, 132 (12), pp.UNSP 1401. 〈10.1007/s00214-013-1401-5〉. 〈hal-00915704〉
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Vincent Tognetti, Christophe Morell, Paul W. Ayers, Laurent Joubert, Henry Chermette. A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (34), pp.14465-14475. 〈10.1039/c3cp51169c〉. 〈hal-00859861〉
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Hafida Merouani, Christophe Morell, Nadia Ouddai, Henry Chermette. DFT study of the stereo-selectivity of oxygenated heterocycles from 10 to 12 links. canadian journal of chemistry - revue canadienne de chimie, 2013, 91 (9), pp.811-820. 〈10.1139/cjc-2012-0521〉. 〈hal-00877392〉
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Christophe Morell, André Grand, Alejandro Toro-Labbé, Henry Chermette. Is hyper-hardness more chemically relevant than expected?. Journal of Molecular Modeling, Springer Verlag (Germany), 2013, 19 (7), pp.2893-2900. 〈10.1007/s00894-013-1778-z〉. 〈hal-00850197〉
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Vanessa Labet, Nelly Jorge, Christophe Morell, Thierry Douki, Jean Cadet, et al.. UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct - a DFT study of the oxetane intermediate ring opening. Photochemical & Photobiological Sciences Photochemical and Photobiological Sciences, Royal Society of Chemistry, 2013, pp.1-8. 〈10.1039/C3PP50069A〉. 〈hal-00842451〉
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Pierre Mignon, Martin Tiano, Philippe Belmont, Alain Favre-Reguillon, Henry Chermette, et al.. Unusual reactivities of acridine derivatives in catalytic hydrogenation. A combined experimental and theoretical study. Journal of Molecular Catalysis A: Chemical, Elsevier, 2013, 371, pp.63-69. 〈10.1016/j.molcata.2013.01.015〉. 〈hal-00877304〉
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Emmanuelle Vulliet, Barbara Giroud, Pédro Marote. Determination of testosterone and its photodegradation products in surface waters using solid-phase extraction followed by LC-MS/MS analysis. Environmental Science and Pollution Research, Springer Verlag, 2013, 20 (1), pp.117-125. 〈10.1007/s11356-012-1041-7〉. 〈hal-00993064〉
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Leila Sadr Arani, Pierre Mignon, H. Abdoul-Carime, B. Farizon, M. Farizon, et al.. Hydrogen release from charged fragments of the uracil cation followed by their fragmentation: A DFT study. Chemical Physics Letters, Elsevier, 2013, 583, pp.165-169. 〈10.1016/j.cplett.2013.07.082〉. 〈in2p3-00871668〉
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2012

Journal articles

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Romain Simon, Marion Girod, Catherine Fonbonne, Arnaud Salvador, Yohann Clément, et al.. Total ApoE and ApoE4 isoform assays in an alzheimer's disease case-control study by targeted mass spectrometry (n=669): a pilot assay for methionine-containing proteotypic peptides. Molecular and Cellular Proteomics, American Society for Biochemistry and Molecular Biology, 2012, 11 (11), pp.1389-1403. 〈10.1074/mcp.M112.018861〉. 〈hal-00875286〉
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Federico Musso, Pierre Mignon, Piero Ugliengo, Mariona Sodupe. Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (30), pp.10507-10514. 〈10.1039/c2cp40756f〉. 〈hal-00877322〉
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Leila Sadr Arani, Pierre Mignon, H. Abdoul-Carime, B. Farizon, M. Farizon, et al.. DFT study of the fragmentation mechanism of uracil RNA base.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (28), pp.9855-9870. 〈10.1039/c2cp40384f〉. 〈hal-00877324〉
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Lionel Ripoll, Claire Bordes, Pédro Marotte, Sabrina Etheve, Abdelhamid Elaissari, et al.. Polymer particle adsorption at textile/liquid interfaces: a simple approach for a new functionalization route. Polymer International, Wiley, 2012, 61 (7), pp.1127-1135. 〈10.1002/pi.4190〉. 〈hal-00877354〉
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Séverine Dumas, Jean-Yves Gauvrit, Pierre Lanteri. Development of quantitative analytical methods to measure the polymorphic composition of CL20 (Hexanitrohexaazaisowurtzitane - HNIW) with FTIR-NIR or FTIR-MIR spectroscopy using PLS regression. Propellants, Explosives, Pyrotechnics, Wiley-VCH Verlag, 2012, 37 (3), pp.288-301. 〈10.1002/prep.200900106〉. 〈hal-00877442〉
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Corinne Sanglar, Tim Jansen, Marius C. Silaghi, Julien Mernier, Pierre Mignon, et al.. Study of Prepolymerization Complex Formation in the Synthesis of Steroid-Based Molecularly Imprinted Polymers. Analytical Chemistry, American Chemical Society, 2012, 84 (10), pp.4481-4488. 〈10.1021/ac3003159〉. 〈hal-00786070〉
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Maguy Abi Jaoudé, Jérôme Randon, Claire Bordes, Pierre Lanteri, Laurence Bois. A design of experiment approach to the sol-gel synthesis of titania monoliths for chromatographic applications. Analytical and Bioanalytical Chemistry, Springer Verlag, 2012, 403 (4), pp.1145-1155. 〈10.1007/s00216-012-5761-9〉. 〈hal-00807467〉
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Sameh Ayadi, Pierre Mignon, Manef Abderrabba, Henry Chermette. Theoretical study of the polymerization of p-tert-butyl-anisol. International Journal of Quantum Chemistry, Wiley, 2012, 112 (9), pp.2154-2159. 〈10.1002/qua.23162〉. 〈hal-00877317〉
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Dorothée Pliszczak, Claire Bordes, Sandrine Bourgeois, Pédro Marotte, Hassan Zahouani, et al.. Mucoadhesion evaluation of polysaccharide gels for vaginal application by using rheological and indentation measurements. Colloids and Surfaces B: Biointerfaces, Elsevier, 2012, 92, pp.168-174. 〈10.1016/j.colsurfb.2011.11.039〉. 〈hal-00877405〉
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Philippe Namour, Pascal Breil, Yohann Clément, Gil De Sousa, Jean-Pierre Chanet, et al.. The Water Framework Directive requires new tools for a better water quality monitoring. E - WAter, 2012, pp.on-line. 〈hal-00811608〉
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Séverine Dumas, Jean-Yves Gauvrit, Pierre Lanteri. Determining the Polymorphic Purity of e-CL20 Contaminated by Other Polymorphs through the Use of FTIR Spectroscopy with PLS Regression. Propellants, Explosives, Pyrotechnics, Wiley-VCH Verlag, 2012, 37 (2), pp.230-234. 〈10.1002/prep.200900090〉. 〈hal-00704036〉
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Eric Brémond, D. Pilard, I. Ciofini, Henry Chermette, C. Adamo, et al.. Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family. Theoretica Chimica Acta, 2012, 131, pp.1184. 〈10.1007/S00214-012-1184-0〉. 〈hal-00762130〉
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Lionel Ripoll, Claire Bordes, Pedro Marotte, Sabrina Etheve, Abdelhamid Elaissari, et al.. Electrokinetic properties of bare or nanoparticle-functionalized textile fabrics. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2012, 397, pp.24-32. 〈10.1016/j.colsurfa.2012.01.022〉. 〈hal-00703680〉
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Pierre Mignon, Marc Pera-Titus, Henry Chermette. Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (11), pp.3766-3774. 〈10.1039/c2cp23231f〉. 〈hal-00877340〉
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Mahboubeh Poor Kalhor, Henry Chermette, Danielle Ballivet-Tkatchenko. Reactivity of dialkoxydibutylstannanes toward carbon dioxide: A DFT study of electronic and steric effects. Polyhedron, Elsevier, 2012, 32 (1), pp.73-77. 〈10.1016/j.poly.2011.09.035〉. 〈hal-00697209〉
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Pierre Mignon, Mariona Sodupe. Theoretical study of the adsorption of DNA bases on the acidic external surface of montmorillonite.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (2), pp.945-954. 〈10.1039/c1cp22454a〉. 〈hal-00877343〉
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Anne Piram, René Faure, Henry Chermette, Claire Bordes, Bernard Herbreteau, et al.. Photochemical behaviour of propranolol in environmental waters: the hydroxylated photoproducts. International Journal of Environmental Analytical Chemistry, Taylor & Francis, 2012, 92 (1), pp.96-109. 〈10.1080/03067319.2010.497920〉. 〈hal-00876038〉
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Henry Chermette, Frédéric Lefebvre. Theoretical study of the four isomers of [Siw11o39]8−: Structure, stability and physical properties. Comptes Rendus Chimie, Elsevier Masson, 2012, 15 (2-3), pp.143-151. 〈10.1016/j.crci.2011.09.002〉. 〈hal-00698507〉
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2011

Journal articles

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Julien Boccard, Flavia Badoud, Elia Grata, Samia Ouertani, Mohamed Hanafi, et al.. A steroidomic approach for biomarkers discovery in doping control.. Forensic Science International, Elsevier, 2011, 213 (1-3), pp.85-94. 〈10.1016/j.forsciint.2011.07.023〉. 〈hal-00877464〉
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Dorothée Pliszczak, Sandrine Bourgeois, Claire Bordes, Jean-Pierre Valour, Marie-Andrée Mazoyer, et al.. Improvement of an encapsulation process for the preparation of pro- and prebiotics-loaded bioadhesive microparticles by using experimental design. European Journal of Pharmaceutical Sciences, Elsevier, 2011, 44 (1-2), pp.83-92. 〈10.1016/j.ejps.2011.06.011〉. 〈hal-00703773〉
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Christophe Morell, Vanessa Labet, Paul W Ayers, Luigi Genovese, André Grand, et al.. Use of the dual potential to rationalize the occurrence of some DNA lesions (pyrimidic dimers).. Journal of Physical Chemistry A, American Chemical Society, 2011, 115 (27), pp.8032-8040. 〈10.1021/jp202839u〉. 〈hal-00877379〉
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Jeff Espinas, Jérémie Pelletier, Erwan Jeanneau, Ulrich Darbost, Kai C. Szeto, et al.. Synthesis of novel tantalacalixarene complexes: first example of intramolecular CH activation of monodepleted aromatic ring. Organometallics, American Chemical Society, 2011, 30 (13), pp.3512-3521. 〈10.1021/om200140u〉. 〈hal-00877430〉
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Mouna Hnaien, Emilie Ruffin, Claire Bordes, Olivier Marcillat, Florence Lagarde, et al.. Integrity characterization of myoglobin released from poly(ε-caprolactone) microspheres using two analytical methods: UV/Vis spectrometry and conductometric bi-enzymatic biosensor. European Journal of Pharmaceutics and Biopharmaceutics, Elsevier, 2011, 78 (2), pp.298-305. 〈10.1016/j.ejpb.2011.01.013〉. 〈hal-00703788〉
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Christophe Morell, Paul W Ayers, André Grand, Henry Chermette. Application of the electron density force to chemical reactivity.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (20), pp.9601-9608. 〈10.1039/c0cp02083d〉. 〈hal-00877376〉
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Mahboubeh Poor Kalhor, Henry Chermette, Stéphane Chambrey, Danielle Ballivet-Tkatchenko. From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (6), pp.2401-2408. 〈10.1039/c0cp02089c〉. 〈hal-00877433〉
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Agnèta Kiss, Anne-Laure Jacquet, Marie-Magdeleine Flament-Waton, Jean-Olivier Païssé, Jacques De Ceaurriz, et al.. Urinary signature of anabolic steroids and glucocorticoids in humans by LC-MS.. Talanta, Elsevier, 2011, 83 (5), pp.1769-1773. 〈10.1016/j.talanta.2010.10.030〉. 〈hal-00591902〉
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Xavier Rozanska, Françoise Delbecq, Philippe Sautet, Fréderic Lefebvre, Sergei Borshch, et al.. Polyoxometalate Grafting onto Silica: Stability Diagrams of H3PMo12O40 on {001}, {101}, and {111)-Cristobalite Surfaces Analyzed by DFT. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (35), pp.15955-15959. 〈10.1039/C1CP21171D〉. 〈hal-00986811〉
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