Laboratoire de chimie de la matière condensée de Paris
Tour 44-43 / 4ème étage
Case courrier 174
4, Place Jussieu
75005 PARIS
France

Christel GERVAIS

Professeur
SMiLES

christel.gervais_stary[at]upmc.fr@-Code a retirer pour éviter le SPAM-

Christel Gervais is a chemical engineer from the Ecole Nationale Supérieure de Chimie de Paris (ENSCP) and graduated in 1996. She defended her doctoral thesis in october 1999 in the University Pierre and Marie Curie (UPMC) now part of Sorbonne University. Her research project, performed under the supervision of Dr. F. Babonneau was focused on the characterization by solid state NMR of polymer derived ceramics (PDCs). Funded by a Marie Curie individual fellowship, she then joined the Physics Department of the University of Warwick (UK) to work on the synthesis and characterization by solid state NMR of TiO₂ and mixed SiO₂-TiO₂ oxide nanoparticles prepared by sol-gel process, under the supervision of Pr M. E. Smith. She was hired in September 2000 at the Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP) as assistant professor. In 2011, she was appointed full professor to develop a research project entitled « Spectroscopy and modeling for structural characterization of materials ».

Her research activities are centered on solid state NMR spectroscopy and deal with the characterization of a wide range of materials including nitride- or oxide-based ceramics prepared by polymeric routes, hybrid systems exhibiting an interface between an inorganic surface and (bio)organic molecules, biomaterials…. Moreover, for a few years, she combined this experimental approach with a more theoretical one based on ab-initio calculations of NMR parameters. Indeed, NMR spectra offer valuable structural information provided a careful analysis consisting for instance in assigning a chemical shift to a well defined structural site. Ab-initio calculations appear therefore a very useful tool to simulate experimental spectra and obtain data on model systems difficult to synthesize. In addition, since materials investigated by NMR are generally disordered or even amorphous, structures used as a starting point for NMR calculations can not be obtained via X-Ray diffraction : therefore she also extended her activities to ab-initio structural modeling.

These studies are centered on the precise characterization of a matrix surface sites ((silica, HDL, MOF…) in order to study the adsorption of organic and bio-organic molecules (amino acids, peptides, drugs, pollutants). High resolution solid state NMR is a very powerful tool to investigate surfaces, adsorbed/encapsulated molecules but also interactions between both components Experiments are combined to first principles calculations to select the most relevant models.

Journal of the American Chemical Society 133 16815 (2011), Journal of Physical Chemistry C 117, 4104 (2013), Microporous and Mesoporous Materials 166, 109 (2013), Progress in Nuclear Magnetic Resonance Spectroscopy 77, 1 (2014), Chemistry a European Journal 20, 15188 (2014), Chemistry of Materials 27, 1242 (2015) Langmuir, 32, 997 (2016) Chemistry a European Journal 22, 16531 (2016), Journal of Physical Chemistry C 121, 17339 (2017)

The Polymer Derived Ceramics (PDCs) route is based on the shaping then pyrolysis of preceramic polymers : it is an attractive means for the production of “near net shape” advanced ceramics with a large variety of organizations going from 0D to 3D such as particles and spheres, (nano)fiber or coatings for a large range of application fields. Multinuclear solid-state NMR allows a fine description of the polymer structure to better understand their rheological behavior for example their melt-spinnability. The objective is indeed to tailor the properties and processability of the systems.

Journal of Materials Chemistry 22, 17923 (2012) Journal of the American Ceramic Society, 97, 303 (2014) Advanced Materials 26, 6548 (2014) Journal of Physical Chemistry C 119, 2783 (2015) J. Mater. Chem. A 5, 720 (2017) Chemistry a European Journal. 23, 9076 (2017), Dalton Transactions 46, 13510 (2017), Chemistry a European Journal 23, 17103 (2017), Dalton Transaction 47, 14580 (2018) Journal of the European Ceramic Society 39, 183 (2019), Royal Society Open Science 6 190690 (2019), J. Mater. Chem. A 8, 8752 (2020)

Apatites are at the crossroads of many disciplines (medicine, chemistry, paleontology, archeology, mineralogy) at the national and international level. The main inorganic component of bones is an hydroxyapatite (Ca₅(PO₄)₃OH) substituted by carbonates. Besides the presence of carbonate groups, a large variability in chemical composition is also observed in natural samples, related to the bio-apatite formation or its post-mortem transformation. Changes in chemical composition range from cationic substitutions (eg Sr²⁺, Mn²⁺, rare earths) affecting the site of calcium, to the incorporation of anions (F^–, Cl^–) in the structural channels, and include the incorporation of hydrogen (HPO₄^2-) and silicates (SiO₄^4-) in the phosphate sites. The objective of this project is therefore to improve our understanding of the mechanisms controlling the chemical and isotopic composition of apatite and go further than the empirical approach often used in the interpretation of spectroscopic observations using in particular modeling and calculation of NMR parameters.

Biomaterials vol 32, 1826-1837 (2011), American Mineralogist vol 98, 1066–1069 (2013), RSC Advances vol 4,14700-14707 (2014), Physics and Chemistry of Minerals vol 41, 347-359 (2014), Acta Biomaterialia vol 10, 3952-3958, Phys Chem Minerals vol 43, 615-626 (2016), Geochimica & Cosmochimica Acta vol 219, 57-73 (2017), American Mineralogist Vol 103,326-329, Palaeogeography, Palaeoclimatology, Palaeoecology vol 526, 80–95 (2019), Archaeometry Vol 61,1129-1143

Journal articles

ref_biblio: Luigi Stagi, Luca Malfatti, Alessia Zollo, Stefano Livraghi, Davide Carboni, et al.. Phosphorescence by Trapping Defects in Boric Acid Induced by Thermal Processing. Advanced Optical Materials, 2023, ⟨10.1002/adom.202302682⟩. ⟨hal-04389106⟩
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ref_biblio: Gerson Leonel, Xin Guo, Gurpreet Singh, Christel Gervais, Alexandra Navrotsky. Energetics and structure of SiC(N)(O) polymer‐derived ceramics. Journal of the American Ceramic Society, 2023, 106 (8), pp.5086-5101. ⟨10.1111/jace.19153⟩. ⟨hal-04138021⟩
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ref_biblio: Yangyang Su, Flavio Siro Brigiano, Ivan Petit, César Leroy, Christian Bonhomme, et al.. Investigation of Carbonate Substitution in Hydroxyapatite by Combining Solid‐state NMR and DFT Calculations. Chemistry–Methods, 2023, ⟨10.1002/cmtd.202300007⟩. ⟨hal-04138043⟩
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ref_biblio: Maxime Balestrat, Maxime Cheype, Pierre Carles, Xavier Deschanels, Audrey Soum-Glaude, et al.. Optically selective SiC-based nanocomposite objects derived from titanium and boron-modified polycarbosilanes. Open Ceramics, 2023, 14, pp.100353. ⟨10.1016/j.oceram.2023.100353⟩. ⟨hal-04296320⟩
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ref_biblio: Vinicius Martins, Bryan E.G. Lucier, Kuizhi Chen, Ivan Hung, Zhehong Gan, et al.. Molecular-Level Characterization of Oxygen Local Environments in a Pristine and Post-Synthetically Modified Metal–Organic Framework via 17 O Nuclear Magnetic Resonance Spectroscopy. Chemistry of Materials, 2023, 35 (9), pp.3555-3569. ⟨10.1021/acs.chemmater.3c00199⟩. ⟨hal-04137974⟩
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ref_biblio: Karim Bouchmella, Quentin Lion, Christel Gervais, Mateus Borba Cardoso. Impact of Mesoporous Silica Functionalization Fine-Tuning on Antibiotic Uptake/Delivery and Bactericidal Activity. ACS Omega, 2023, 8 (13), pp.12154-12164. ⟨10.1021/acsomega.2c08065⟩. ⟨hal-04086593⟩
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ref_biblio: Maxime Balestrat, Maxime Cheype, Christel Gervais, Xavier Deschanels, Samuel Bernard. Advanced nanocomposite materials made of TiC nanocrystals in situ immobilized in SiC foams with boosted spectral selectivity. Materials Advances, 2023, 4 (4), pp.1161-1170. ⟨10.1039/D2MA00886F⟩. ⟨hal-04296299⟩
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ref_biblio: Christel Gervais. Solid-state NMR applied to Si-based polymer derived ceramics: A review. Open Ceramics, 2023, 15, pp.100376. ⟨10.1016/j.oceram.2023.100376⟩. ⟨hal-04137952⟩
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ref_biblio: Ieva Goldberga, Nicholai D Jensen, Christèle Combes, Frédéric Mentink-Vigier, Xiaoling Wang, et al.. 17O solid state NMR as a valuable tool for deciphering reaction mechanisms in mechanochemistry: the case study on the 17 O-enrichment of hydrated Ca-pyrophosphate biominerals. Faraday Discussions, 2023, 241, pp.250-265. ⟨10.1039/d2fd00127f⟩. ⟨hal-03846476⟩
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ref_biblio: Vinavadini Ramnarain, Tristan Georges, Nathaly Ortiz Peña, Dris Ihiawakrim, Mariana Longuinho, et al.. Monitoring of CaCO 3 Nanoscale Structuration through Real-Time Liquid Phase Transmission Electron Microscopy and Hyperpolarized NMR. Journal of the American Chemical Society, 2022, 144 (33), pp.15236-15251. ⟨10.1021/jacs.2c05731⟩. ⟨hal-03868061⟩
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ref_biblio: Hagop Abadian, Pauline Cornette, Dominique Costa, Alberto Mezzetti, Christel Gervais, et al.. Leucine on Silica: A Combined Experimental and Modeling Study of a System Relevant for Origins of Life, and the Role of Water Coadsorption. Langmuir, 2022, 38 (26), pp.8038-8053. ⟨10.1021/acs.langmuir.2c00841⟩. ⟨hal-03857982⟩
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ref_biblio: César Leroy, Thomas-Xavier Métro, Ivan Hung, Zhehong Gan, Christel Gervais, et al.. From Operando Raman Mechanochemistry to “NMR Crystallography”: Understanding the Structures and Interconversion of Zn-Terephthalate Networks Using Selective 17 O-Labeling. Chemistry of Materials, 2022, 34 (5), pp.2292-2312. ⟨10.1021/acs.chemmater.1c04132⟩. ⟨hal-03681123⟩
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ref_biblio: Mirna Chaker Bechelany, Vanessa Proust, Abhijeet Lale, Maxime Balestrat, Arnaud Brioude, et al.. From design to characterization of zirconium nitride/silicon nitride nanocomposites. Journal of the European Ceramic Society, 2022, 42 (5), pp.2135-2145. ⟨10.1016/j.jeurceramsoc.2022.01.007⟩. ⟨hal-03660916⟩
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ref_biblio: Mirna Chaker Bechelany, Abhijeet Lale, Maxime Balestrat, Christel Gervais, Sylvie Malo, et al.. Ceramic nanocomposites prepared via the in situ formation of a novel TiZrN2 nanophase in a polymer-derived Si3N4 matrix. Journal of the European Ceramic Society, 2022, 42 (10), pp.4172-4178. ⟨10.1016/j.jeurceramsoc.2022.04.006⟩. ⟨hal-03660914⟩
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ref_biblio: Shakir Bin Mujib, François Ribot, Christel Gervais, Gurpreet Singh. Self-supporting carbon-rich SiOC ceramic electrodes for lithium-ion batteries and aqueous supercapacitors. RSC Advances, 2021, 11 (56), pp.35440-35454. ⟨10.1039/d1ra05968h⟩. ⟨hal-03412976⟩
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ref_biblio: Vinicius Martins, Jun Xu, Ivan Hung, Zhehong Gan, Christel Gervais, et al.. 17 O solid‐state NMR at ultrahigh magnetic field of 35.2 T: Resolution of inequivalent oxygen sites in different phases of MOF MIL‐53(Al). Magnetic Resonance in Chemistry, 2021, 59 (9-10), pp.940-950. ⟨10.1002/mrc.5122⟩. ⟨hal-03572397⟩
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ref_biblio: César Leroy, Laure Bonhomme-Coury, Christel Gervais, Frederik Tielens, Florence Babonneau, et al.. A novel multinuclear solid state NMR approach for the characterization of kidney stones. Magnetic Resonance, 2021, 2 (2), pp.653-671. ⟨10.5194/mr-2-653-2021⟩. ⟨hal-03322334v2⟩
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ref_biblio: Mélanie Wynn, David Lopez-Ferber, Antoine Viard, Diane Fonblanc, Marion Schmidt, et al.. Tuning of the high temperature behaviour of Si–C–N ceramics via the chemical crosslinking of poly(vinylmethyl-co-methyl)silazanes with controlled borane contents. Open Ceramics, 2021, 5, pp.100055. ⟨10.1016/j.oceram.2021.100055⟩. ⟨hal-03118844⟩
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ref_biblio: Chia-Hsin Chen, Ieva Goldberga, Philippe Gaveau, Sébastien Mittelette, Jessica Špačková, et al.. Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using 17O and 2H NMR analyses. Magnetic Resonance in Chemistry, 2021, 59 (9-10), pp.975-990. ⟨10.1002/mrc.5141⟩. ⟨hal-03205685⟩
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ref_biblio: Simon Delacroix, Fernando Igoa, Yang Song, Yann Le Godec, Cristina Coelho-Diogo, et al.. Electron Precise Sodium Carbaboride Nanocrystals from Molten Salts: Single Sources to Boron Carbides. Inorganic Chemistry, 2021, The Inorganic Chemistry of Nanoparticles, 60 (7), pp.4252-4260. ⟨10.1021/acs.inorgchem.0c03501⟩. ⟨hal-03145234⟩
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ref_biblio: Danielle Laurencin, Yang Li, Melinda J Duer, Dinu Iuga, Christel Gervais, et al.. A 43 Ca NMR perspective on octacalcium phosphate and its hybrid derivatives. Magnetic Resonance in Chemistry, 2021, 59, pp.1048. ⟨10.1002/mrc.5149⟩. ⟨hal-03177548⟩
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ref_biblio: Quentin Hanniet, Moustapha Boussmen, Jonathan Barés, Vincent Huon, Igor Iatsunskyi, et al.. Investigation of polymer-derived Si–(B)–C–N ceramic/reduced graphene oxide composite systems as active catalysts towards the hydrogen evolution reaction. Scientific Reports, 2020, 10, pp.22003, 1-15. ⟨10.1038/s41598-020-78558-x⟩. ⟨hal-03145377⟩
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ref_biblio: Jessica Špačková, Charlyn Fabra, Sébastien Mittelette, Emeline Gaillard, Chia-Hsin Chen, et al.. Unveiling the Structure and Reactivity of Fatty-Acid Based (Nano)materials Thanks to Efficient and Scalable 17O and 18O-Isotopic Labeling Schemes. Journal of the American Chemical Society, 2020, 142 (50), pp.21068-21081. ⟨10.1021/jacs.0c09383⟩. ⟨hal-03117231⟩
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ref_biblio: Maxime Balestrat, Abhijeet Lale, André Vinícius Andrade Bezerra, Vanessa Proust, Eranezhuth Wasan Awin, et al.. In-Situ Synthesis and Characterization of Nanocomposites in the Si-Ti-N and Si-Ti-C Systems. Molecules, 2020, Exclusive Papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section of Molecules, 25 (22), pp.5236. ⟨10.3390/molecules25225236⟩. ⟨hal-03053387⟩
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ref_biblio: Simon Delacroix, Yann Le Godec, Cristina Coelho, Christel Gervais, Isabelle Genois, et al.. Synthesis in Molten Salts and Characterization of Li 6 B 18 (Li 2 O) x Nanoparticles. Inorganic Chemistry, 2020, 59 (20), pp.14983-14988. ⟨10.1021/acs.inorgchem.0c01694⟩. ⟨hal-02993703⟩
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ref_biblio: Vinicius Martins, Jun (jim) Xu, Xiaoling Wang, Kuizhi Chen, Ivan Hung, et al.. Higher Magnetic Fields, Finer MOF Structural Information: 17 O Solid-State NMR at 35.2 T. Journal of the American Chemical Society, 2020, 142 (35), pp.14877-14889. ⟨10.1021/jacs.0c02810⟩. ⟨hal-02925283⟩
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ref_biblio: Christel Gervais, Christian Bonhomme, Danielle Laurencin. Recent directions in the solid-state NMR study of synthetic and natural calcium phosphates. Solid State Nuclear Magnetic Resonance, 2020, 107, pp.101663. ⟨10.1016/j.ssnmr.2020.101663⟩. ⟨hal-02570411⟩
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ref_biblio: Laëtitia Mayen, Nicholai D Jensen, Maximilien Desbord, Danielle Laurencin, Christel Gervais, et al.. Advances in the synthesis and structure of α-canaphite: a multitool and multiscale study. CrystEngComm, 2020, 22 (18), pp.3130-3143. ⟨10.1039/d0ce00132e⟩. ⟨hal-02873559⟩
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ref_biblio: Adi Azoulay, Jesús Barrio, Jonathan Tzadikov, Michael Volokh, Josep Albero, et al.. Synthesis of metal-free lightweight materials with sequence-encoded properties. Journal of Materials Chemistry A, 2020, 8 (17), pp.8752-8760. ⟨10.1039/D0TA03162C⟩. ⟨hal-02938216⟩
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ref_biblio: Zhongkan Ren, Christel Gervais, Gurpreet Singh. Fabrication and characterization of silicon oxycarbide fibre-mats via electrospinning for high temperature applications. RSC Advances, 2020, 10 (63), pp.38446 - 38455. ⟨10.1039/d0ra04060f⟩. ⟨hal-03104563⟩
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ref_biblio: Danielle Laurencin, Pascal Yot, Christel Gervais, Yannick Guari, Sébastien Clément, et al.. Synthesis, characterization and modeling of self-assembled porphyrin nanorods. Journal of Porphyrins and Phthalocyanines, 2019, 2019 Women in Porphyrin Science, 23 (11n12), pp.1346-1354. ⟨10.1142/S1088424619501451⟩. ⟨hal-02454505⟩
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ref_biblio: Julie Aufort, Dominique Gommery, Christel Gervais, Loïc Segalen, Nathalie Labourdette, et al.. Assessing bone transformation in late Miocene and Plio‐Pleistocene deposits of Kenya and South Africa. Archaeometry, 2019, 61 (5), pp.1129-1143. ⟨10.1111/arcm.12471⟩. ⟨hal-02097000⟩
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ref_biblio: Lucie Ries, Eddy Petit, Thierry Michel, Cristina Coelho Diogo, Christel Gervais, et al.. Enhanced sieving from exfoliated MoS₂ membranes via covalent functionalization. Nature Materials, 2019, 18 (10), pp.1112-1117. ⟨10.1038/s41563-019-0464-7⟩. ⟨hal-02310531⟩
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ref_biblio: Alexandre Courac, Yann Le Godec, Carlos Renero-Lecuna, Hicham Moutaabbid, Ram Kumar, et al.. High-Pressure Melting Curve of Zintl Sodium Silicide Na4Si4 by In Situ Electrical Measurements. Inorganic Chemistry, 2019, 58 (16), pp.10822-10828. ⟨10.1021/acs.inorgchem.9b01108⟩. ⟨hal-02342905⟩
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ref_biblio: Julie Aufort, Christel Gervais, Loïc Segalen, Nathalie Labourdette, Cristina Coelho-Diogo, et al.. Atomic scale transformation of bone in controlled aqueous alteration experiments. Palaeogeography, Palaeoclimatology, Palaeoecology, 2019, 526, pp.80-95. ⟨10.1016/j.palaeo.2019.03.042⟩. ⟨hal-02096955⟩
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ref_biblio: Zhongkan Ren, Christel Gervais, Gurpreet Singh. Preparation and structure of SiOCN fibres derived from cyclic silazane/poly-acrylic acid hybrid precursor. Royal Society Open Science, 2019, 6 (10), pp.190690. ⟨10.1098/rsos.190690⟩. ⟨hal-02454315⟩
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ref_biblio: Chrystelle Salameh, Samuel Bernard, Christel Gervais, Florence Babonneau, Alina Bruma, et al.. Chemistry of a series of aluminum-modified polysilazanes: Synthesis, pyrolysis behaviour and microstructural evolution. Journal of the European Ceramic Society, 2019, 39 (2-3), pp.183-194. ⟨10.1016/j.jeurceramsoc.2018.09.027⟩. ⟨hal-01944455⟩
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ref_biblio: Silvia Pandolfi, Carlos Renero-Lecuna, Yann Le Godec, Benoit Baptiste, Nicolas F Menguy, et al.. Nature of Hexagonal Silicon Forming via High-Pressure Synthesis: Nanostructured Hexagonal 4H Polytype. Nano Letters, 2018, 18 (9), pp.5989 - 5995. ⟨10.1021/acs.nanolett.8b02816⟩. ⟨hal-01922469⟩
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ref_biblio: Etienne Balan, Johanna Noireaux, Vasileios Mavromatis, Giuseppe Saldi, Valérie Montouillout, et al.. Theoretical isotopic fractionation between structural boron in carbonates and aqueous boric acid and borate ion. Geochimica et Cosmochimica Acta, 2018, 222, pp.117-129. ⟨10.1016/j.gca.2017.10.017⟩. ⟨hal-01628373⟩
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ref_biblio: Julie Aufort, Matthieu Lebon, Xavier Gallet, Loïc Segalen, Christel Gervais, et al.. Macroscopic electrostatic effects in ATR-FTIR spectra of modern and archeological bones. The American Mineralogist, 2018, 103 (2), pp.326-329. ⟨10.2138/am-2018-6320CCBYNCND⟩. ⟨hal-01768252⟩
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ref_biblio: Christian Bonhomme, Xiaoling Wang, Ivan Hung, Zhehong Gan, Christel Gervais, et al.. Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra-high magnetic field (35.2 T). Chemical Communications, 2018, 54 (69), pp.9591-9594. ⟨10.1039/c8cc05193c⟩. ⟨hal-01861127⟩
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ref_biblio: Marion Schmidt, Charlotte Durif, Emanoelle Diz Acosta, Chrystelle Salameh, Hervé Plaisantin, et al.. Molecular-Level Processing of Si-(B)-C Materials with Tailored Nano/Microstructures. Chemistry - A European Journal, 2017, 23 (67), pp.17103 - 17117. ⟨10.1002/chem.201703674⟩. ⟨hal-01670301⟩
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ref_biblio: Julie Aufort, Loïc Ségalen, Christel Gervais, Lorenzo Paulatto, Marc Blanchard, et al.. Site-specific equilibrium isotopic fractionation of oxygen, carbon and calcium in apatite. Geochimica et Cosmochimica Acta, 2017, 219, pp.57-73. ⟨10.1016/j.gca.2017.09.020⟩. ⟨hal-01598388⟩
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ref_biblio: Antoine Viard, Diane Fonblanc, Marion Schmidt, Abhijeet Lale, Chrystelle Salameh, et al.. Molecular Chemistry and Engineering of Boron-Modified Polyorganosilazanes as New Processable and Functional SiBCN Precursors. Chemistry - A European Journal, 2017, 23 (38), pp.9076 - 9090. ⟨10.1002/chem.201700623⟩. ⟨hal-01670294⟩
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ref_biblio: Mirna Chaker Bechelany, Vanessa Proust, Abhijeet Lale, Philippe Miele, Sylvie Malo, et al.. Nanocomposites through the Chemistry of Single-Source Precursors: Understanding the Role of Chemistry behind the Design of Monolith-Type Nanostructured Titanium Nitride/Silicon Nitride. Chemistry - A European Journal, 2017, 23 (4), pp.832-845. ⟨10.1002/chem.201603661⟩. ⟨hal-01518200⟩
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ref_biblio: L. F. B. Ribeiro, Olivier Flores, P. Furtat, C. Gervais, R. Kempe, et al.. A novel PAN/silazane hybrid polymer for processing of carbon-based fibres with extraordinary oxidation resistance. Journal of Materials Chemistry A, 2017, 5 (2), pp.720-729. ⟨10.1039/c6ta09293d⟩. ⟨hal-01518198⟩
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ref_biblio: Julia Vecchietti, Miguel A. Baltanas, Christel Gervais, Sebastian E. Collins, Ginesa Blanco, et al.. Insights on hydride formation over cerium-gallium mixed oxides: A mechanistic study for efficient H₂ dissociation. Journal of Catalysis, 2017, 345, pp.258-269. ⟨10.1016/j.jcat.2016.11.029⟩. ⟨hal-01518199⟩
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ref_biblio: M. A. Abass, A. A. Syed, C. Gervais, G. Singh. Synthesis and electrochemical performance of a polymer-derived silicon oxycarbide/boron nitride nanotube composite. RSC Advances, 2017, 7 (35), pp.21576-21584. ⟨10.1039/C7RA01545C⟩. ⟨hal-01526779⟩
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ref_biblio: Christel Gervais, Cameron Jones, Christian Bonhomme, Danielle Laurencin. Insight into the local environment of magnesium and calcium in low-coordination-number organo-complexes using 25 Mg and 43 Ca solid-state NMR: a DFT study. Acta Crystallographica Section C : Structural Chemistry [2014-..], 2017, 73 (3), pp.208 - 218. ⟨10.1107/S205322961601929X⟩. ⟨hal-01480332⟩
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ref_biblio: Thomas-Xavier Métro, Christel Gervais, Anthony Martinez, Christian Bonhomme, Danielle Laurencin. Unleashing the Potential of ¹⁷ O NMR Spectroscopy Using Mechanochemistry. Angewandte Chemie International Edition, 2017, 56 (24), pp.6803-6807 ⟨10.1002/anie.201702251⟩. ⟨hal-01527336⟩
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ref_biblio: Ruidy Nemausat, Christel Gervais, Christian Brouder, Nicolas Trcera, Amélie Bordage, et al.. Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides. Physical Chemistry Chemical Physics, 2017, 19 (8), pp.6246 - 6256. ⟨10.1039/C6CP08393E⟩. ⟨hal-01480345⟩
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ref_biblio: Frederik Tielens, Nicolas Folliet, Louis Bondaz, Slavica Etemovic, Florence Babonneau, et al.. Molecular Picture of the Adsorption of Ibuprofen and Benzoic Acid on Hydrated Amorphous Silica through DFT-D Calculations Combined with Solid-State NMR Experiments. Journal of Physical Chemistry C, 2017, 121 (32), pp.17339-17347. ⟨10.1021/acs.jpcc.7b05045⟩. ⟨hal-01582612⟩
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ref_biblio: Etienne Balan, Fabio Pietrucci, Christel Gervais, Marc Blanchard, Jacques Schott, et al.. First-principles study of boron speciation in calcite and aragonite. Geochimica et Cosmochimica Acta, 2016, 193, pp.119-131. ⟨10.1016/j.gca.2016.07.026⟩. ⟨hal-01371923⟩
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ref_biblio: Tanya K Todorova, Xavier Rozanska, Christel Gervais, Alexandre Legrand, Linh N Ho, et al.. Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks.. Chemistry - A European Journal, 2016, 22 (46), pp.16531-16538. ⟨10.1002/chem.201603255⟩. ⟨hal-01546494⟩
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ref_biblio: Oleksandr O. Kurakevych, Yann Le Godec, Wilson A. Crichton, Jérémy Guignard, Timothy A. Strobel, et al.. Synthesis of Bulk BC8 Silicon Allotrope by Direct Transformation and Reduced-Pressure Chemical Pathways. Inorganic Chemistry, 2016, 55 (17), pp.8943-8950. ⟨10.1021/acs.inorgchem.6b01443⟩. ⟨hal-01450924⟩
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ref_biblio: Danielle Laurencin, François Ribot, Christel Gervais, Adrian J. Wright, Annabelle Baker, et al.. 87Sr, 119Sn, 127I Single and {1H/19F}-Double Resonance Solid-State NMR Experiments: Application to Inorganic Materials and Nanobuilding Blocks. ChemistrySelect, 2016, 1 (15), pp.4509-4519. ⟨10.1002/slct.201600805⟩. ⟨hal-01378175⟩
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ref_biblio: Saad Sene, Marie Pizzoccaro, Joris Vezzani, Marc Reinholdt, Philippe Gaveau, et al.. Coordination Networks Based on Boronate and Benzoxaborolate Ligands. Crystals, 2016, Crystals, 6 (5), pp.48. ⟨10.3390/cryst6050048⟩. ⟨hal-01313402⟩
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ref_biblio: Pierre Gras, Annabelle Baker, Christèle Combes, Christian Rey, Stéphanie Sarda, et al.. From crystalline to amorphous calcium pyrophosphates: a solid state Nuclear Magnetic Resonance perspective. Acta Biomaterialia, 2016, 31, pp.348-357. ⟨10.1016/j.actbio.2015.10.016⟩. ⟨hal-01221038⟩
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ref_biblio: Thomas D. Bennett, Tanya K. Todorova, Emma F. Baxter, David G. Reid, Christel Gervais, et al.. Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational stud. Physical Chemistry Chemical Physics, 2016, 18 (3), pp.2192-2201. ⟨10.1039/c5cp06798g⟩. ⟨hal-01270679⟩
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ref_biblio: Julie Aufort, Loïc Ségalen, Christel Gervais, Christian Brouder, Etienne Balan. Modeling the attenuated total reflectance infrared (ATR-FTIR) spectrum of apatite. Physics and Chemistry of Minerals, 2016, 43 (9), pp.615-626. ⟨10.1007/s00269-016-0821-x⟩. ⟨hal-01331139⟩
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ref_biblio: C. Gervais, J. Mourier, J. L. Rummer. Developing in warm water: irregular colouration and patterns of a neonate elasmobranch. Marine Biodiversity, 2016, pp 1-2. ⟨10.1007/s12526-015-0429-2⟩. ⟨hal-01270643⟩
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ref_biblio: Frederik Tielens, Christel Gervais, Géraldine Deroy, Maguy Jaber, Lorenzo Stievano, et al.. Characterization of Phosphate Species on Hydrated Anatase TiO2 Surfaces. Langmuir, 2016, 32 (4), pp.997-1008. ⟨10.1021/acs.langmuir.5b03519⟩. ⟨hal-01269687⟩
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ref_biblio: Ruidy Nemausat, Delphine Cabaret, Christel Gervais, Christian Brouder, Nicolas Trcera, et al.. Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92 (14), pp.144310. ⟨10.1103/PhysRevB.92.144310⟩. ⟨hal-01224258⟩
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ref_biblio: Imane Baroudi, Corine Sirnonnet-Jegat, Catherine Roch-Marchal, Nathalie Leclerc-Laronze, Carine Livage, et al.. Supramolecular Assembly of Gelatin and Inorganic Polyanions: Fine-Tuning the Mechanical Properties of Nanocomposites by Varying Their Composition and Microstructure. Chemistry of Materials, 2015, 27 (5), pp.1452-1464. ⟨10.1021/cm502605q⟩. ⟨hal-01275036⟩
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ref_biblio: Saad Sene, Sylvie Bégu, Christel Gervais, Guillaume Renaudin, Adel Mesbah, et al.. Intercalation of benzoxaborolate anions in layered double hydroxides: toward hybrid formulations for benzoxaborole drugs. Chemistry of Materials, 2015, 27 (4), pp.1242-1254. ⟨10.1021/cm504181w⟩. ⟨hal-01109256⟩
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ref_biblio: Emma F. Baxter, Thomas D. Bennett, Caroline Mellot-Draznieks, Christel Gervais, Frédéric Blanc, et al.. Combined experimental and computational NMR study of crystalline and amorphous zeolitic imidazolate frameworks. Physical Chemistry Chemical Physics, 2015, 17 (38), pp.25191-25196. ⟨10.1039/c5cp02552d⟩. ⟨hal-01275037⟩
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ref_biblio: Dorothée Berthomieu, Christel Gervais, Guillaume Renaudin, Marc Reinholdt, Saad Sene, et al.. Coordination polymers based on alkylboronate ligands: synthesis, characterization, and computational modelling. European Journal of Inorganic Chemistry, 2015, pp.1182-1191. ⟨10.1002/ejic.201402561⟩. ⟨hal-01175713⟩
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ref_biblio: Lamuel David, Samuel Bernard, Christel Gervais, Philippe Miele, Gurpreet Singh. Facile Synthesis and High Rate Capability of Silicon Carbonitride/Boron Nitride Composite with a Sheet-Like Morphology. Journal of Physical Chemistry C, 2015, 119 (5), pp.2783-2791. ⟨10.1021/jp508075x⟩. ⟨hal-01275034⟩
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ref_biblio: Nicolas Le Bail, Krystelle Lionti, Stéphane Benayoun, Sophie Pavan, Leslie Thompson, et al.. Scratch-resistant sol-gel coatings on pristine polycarbonate. New Journal of Chemistry, 2015, 39 (11), pp.8302-8310. ⟨10.1039/c5nj00426h⟩. ⟨hal-01275039⟩
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ref_biblio: Marie-Alexandra Neouze, Martin Kronstein, Marco Litschauer, Michael Puchberger, Cristina Coelho, et al.. Exploring the Molecular Structure of Imidazolium-Silica-Based Nanoparticle Networks by Combining Solid-State NMR Spectroscopy and First-Principles Calculations. Chemistry - A European Journal, 2014, 20 (46), pp.15188-15196. ⟨10.1002/chem.201403730⟩. ⟨hal-01275058⟩
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ref_biblio: Monique Chan-Huot, Stephen Wimperis, Christel Gervais, Geoffrey Bodenhausen, Luminita Duma. Deuterium MAS NMR Studies of Dynamics on Multiple Timescales: Histidine and Oxalic Acid.. ChemPhysChem, 2014, 16 (1), pp.204-215. ⟨10.1002/cphc.201402506⟩. ⟨hal-01079684⟩
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ref_biblio: Mirna Chaker Bechelany, Vanessa Proust, Christel Gervais, Rudy Ghisleni, Samuel Bernard, et al.. In Situ Controlled Growth of Titanium Nitride in Amorphous Silicon Nitride: A General Route Toward Bulk Nitride Nanocomposites with Very High Hardness. Advanced Materials, 2014, 26 (38), pp.6548-6553. ⟨10.1002/adma.201402356⟩. ⟨hal-01275056⟩
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ref_biblio: Martin Depardieu, Raphaël Janot, Clément Sanchez, Ahmed Bentaleb, Rezan Demir-Cakan, et al.. Novel Au/Pd@carbon macrocellular foams as electrodes for lithium–sulfur batteries. Journal of Materials Chemistry A, 2014, 2, pp.18047-18057. ⟨10.1039/c4ta03537b⟩. ⟨hal-01089766⟩
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ref_biblio: Haohao Yi, Etienne Balan, Christel Gervais, Loïc Ségalen, Damien Roche, et al.. Probing atomic scale transformation of fossil dental enamel using Fourier transform infrared and nuclear magnetic resonance spectroscopy: A case study from the Tugen Hills (Rift Gregory, Kenya). Acta Biomaterialia, 2014, 10 (9), pp.3952-3958. ⟨10.1016/j.actbio.2013.12.049⟩. ⟨hal-01093321⟩
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ref_biblio: Danielle Laurencin, Delphine Vantelon, Valérie Briois, Christel Gervais, Antoine Coulon, et al.. Investigation of the local environment of iodate in hydroxyapatite by combination of X-ray absorption spectroscopy and DFT modeling. RSC Advances, 2014, 4, pp.14700-14707. ⟨10.1039/c3ra47691j⟩. ⟨hal-00968901⟩
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ref_biblio: Amir H. Tavakoli, Renzo Campostrini, Christel Gervais, Florence Babonneau, Joachim Bill, et al.. Energetics and Structure of Polymer-Derived Si-(B-)O-C Glasses: Effect of the Boron Content and Pyrolysis Temperature. Journal of the American Ceramic Society, 2014, 97 (1), pp.303-309. ⟨10.1111/jace.12658⟩. ⟨hal-01275053⟩
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ref_biblio: Christian Bonhomme, Christel Gervais, Danielle Laurencin. Recent NMR developments applied to organic-inorganic materials. Progress in Nuclear Magnetic Resonance Spectroscopy, 2014, 77, pp.1-48. ⟨10.1016/j.pnmrs.2013.10.001⟩. ⟨hal-00881233⟩
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ref_biblio: Martin Depardieu, Raphaël Janot, Clément Sanchez, Hervé Deleuze, Christel Gervais, et al.. Nano-spots induced break of the chemical inertness of boron: a new route toward reversible hydrogen storage applications. Journal of Materials Chemistry A, 2014, 2, pp.7694-7701. ⟨10.1039/c4ta00736k⟩. ⟨hal-00988199⟩
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ref_biblio: Martin Depardieu, Raphaël Janot, Clément Sanchez, Ahmed Bentaleb, Christel Gervais, et al.. Carbonaceous multiscale-cellular foams as novel electrodes for stable, efficient lithium-sulfur batteries. RSC Advances, 2014, 4, pp.23971-23976. ⟨10.1039/c4ra03110e⟩. ⟨hal-01010631⟩
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ref_biblio: Basma Khadro, Imane Baroudi, Anne-Marie Goncalves, Bruno Berini, Bruce Pegot, et al.. Interfacing a heteropolytungstate complex and gelatin through a coacervation process: design of bionanocomposite films as novel electrocatalysts.. Journal of Materials Chemistry A, 2014, 2 (9208-9220), pp.9208-9220. ⟨10.1039/c4ta01142b⟩. ⟨hal-01002760⟩
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ref_biblio: Saad Sene, Dorothée Berthomieu, Bruno Donnadieu, Sébastien Richeter, Joris Vezzani, et al.. A combined experimental-computational study of benzoxaborole crystal structures. CrystEngComm, 2014, 16 (23), pp.4999-5011. ⟨10.1039/c4ce00313f⟩. ⟨hal-01016181⟩
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ref_biblio: Haohao Yi, Etienne Balan, Christel Gervais, Loïc Segalen, Marc Blanchard, et al.. Theoretical study of the local charge compensation and spectroscopic properties of B‑type carbonate defects in apatite. Physics and Chemistry of Minerals, 2014, 41, pp.347-359. ⟨10.1007/s00269-013-0654-9⟩. ⟨hal-01010568⟩
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ref_biblio: Elsa Alvarez, Alfonso Garcia-Marquez, Thomas Devic, Nathalie Steunou, Christian Serre, et al.. A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?. CrystEngComm, 2013, 15, pp.9899. ⟨10.1039/c3ce41346b⟩. ⟨hal-00881213⟩
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ref_biblio: Hélène Colas, Laure Bonhomme-Coury, Cristina Coelho Diogo, Frederik Tielens, Florence Babonneau, et al.. Whewellite, CaC2O4*H2O: structural study by a combined NMR, crystallography and modelling approach. CrystEngComm, 2013, 15, pp.8840. ⟨10.1039/c3ce41201f⟩. ⟨hal-00881226⟩
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ref_biblio: Camille Pallier, Jean-Marc Leyssale, Lionel A. Truflandier, Anh Thy Bui, Patrick Weisbecker, et al.. Structure of an Amorphous Boron Carbide Film: An Experimental and Computational Approach. Chemistry of Materials, 2013, 25 (13), pp.2618-2629. ⟨10.1021/cm400847t⟩. ⟨hal-01468408⟩
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ref_biblio: Saad Sene, B. Bouchevreau, Charlotte Martineau, Christel Gervais, Christian Bonhomme, et al.. Structural study of calcium phosphonates: a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approach. CrystEngComm, 2013, 15, pp.8763. ⟨10.1039/c3ce40981c⟩. ⟨hal-00881221⟩
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ref_biblio: Stuart Miller, Elsa Alvarez, Lucie Fradcourt, Thomas Devic, Stefan Wuttke, et al.. A rare example of a porous Ca-MOF for the controlled release of biologically active NO. Chemical Communications, 2013, 49, pp.7773. ⟨10.1039/C3CC41987H⟩. ⟨hal-00823982⟩
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ref_biblio: Camille Pallier, Chollon Georges, Weisbecker Patrick, Teyssandier Francis, Gervais Christel, et al.. Structural changes of CVD Si-B-C coating under thermal annealing. Surface and Coatings Technology, 2013, 215, pp.178-185. ⟨10.1016/j.surfcoat.2012.07.087⟩. ⟨hal-00817348⟩
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ref_biblio: Daniela Aiello, Nicolas Folliet, Guillaume Laurent, Flaviano Testa, Christel Gervais, et al.. Solid state NMR characterization of phenylphosphonic acid encapsulated in SBA-15 and aminopropyl-modified SBA-15. Microporous and Mesoporous Materials, 2013, 166 (SI), pp.109-116. ⟨10.1016/j.micromeso.2012.04.028⟩. ⟨hal-01468404⟩
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ref_biblio: Saad Sene, Marc Reinholdt, Guillaume Renaudin, Dorothée Berthomieu, Claudio Zicovich-Wilson, et al.. Boronate Ligands in Materials: Determining Their Local Environment by Using a Combination of IR/Solid-State NMR Spectroscopies and DFT Calculations. Chemistry - A European Journal, 2013, 19, pp.880-891. ⟨10.1002/chem.201203560⟩. ⟨hal-00784863⟩
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ref_biblio: Hélène Colas, Laure Bonhomme-Coury, Cristina Coelho Diogo, Frederik Tielens, Florence Babonneau, et al.. Whewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approach. CrystEngComm, 2013, 15 (43), pp.8840. ⟨10.1039/c3ce41201f⟩. ⟨hal-04152780⟩
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ref_biblio: Nicolas Folliet, Christel Gervais, Dominique Costa, Guillaume Laurent, Florence Babonneau, et al.. A Molecular Picture of the Adsorption of Glycine in Mesoporous Silica through NMR Experiments Combined with DFT‑D Calculations. Journal of Physical Chemistry C, 2013, 117, pp.4104-4114. ⟨10.1021/jp312195a⟩. ⟨hal-00797997⟩
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ref_biblio: Haohao Yi, Etienne Balan, Christel Gervais, Loïc Ségalen, Franck Fayon, et al.. A carbonate-fluoride defect model for carbonate-rich fluorapatite. The American Mineralogist, 2013, 98, pp.1066-1069. ⟨10.2138/am.2013.4445⟩. ⟨hal-00823261⟩
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ref_biblio: Matthieu Becuwe, P. Rouge, Christel Gervais, A. Courty, A. Dassonville-Klimpt, et al.. A new sensitive organic/inorganic hybrid material based on titanium oxide for the potentiometric detection of iron(III). Journal of Colloid and Interface Science, 2012, 388, pp.130-136. ⟨10.1016/j.jcis.2012.08.029⟩. ⟨hal-01468418⟩
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ref_biblio: Christian Bonhomme, Christel Gervais, Florence Babonneau, Cristina Coelho, Frédérique Pourpoint, et al.. First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View. Chemical Reviews, 2012, 112 (11), pp.5733 - 5779. ⟨10.1021/cr300108a⟩. ⟨hal-01468419⟩
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ref_biblio: Danielle Laurencin, Christel Gervais, Holger Stork, Steffen Krämer, Dominique Massiot, et al.. 25Mg Solid-State NMR of Magnesium Phosphates: High Magnetic Field Experiments and Density Functional Theory Calculations. Journal of Physical Chemistry C, 2012, 116, pp.19984-19995. ⟨10.1021/jp307456m⟩. ⟨hal-00728158⟩
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ref_biblio: Christian Bonhomme, Christel Gervais, Nicolas Folliet, Frédérique Pourpoint, Cristina Coelho Diogo, et al.. (87)Sr solid-state NMR as a structurally sensitive tool for the investigation of materials: antiosteoporotic pharmaceuticals and bioactive glasses.. Journal of the American Chemical Society, 2012, 134 (30), pp.12611-12628. ⟨10.1021/ja303505g⟩. ⟨hal-00726394⟩
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ref_biblio: Matthieu Becuwe, P. Rouge, Christel Gervais, D. Cailleu, M. Courty, et al.. Calix[4]arene-modified silica nanoparticles for the potentiometric detection of iron (III) in aqueous solution. Comptes Rendus. Chimie, 2012, 15 (4), pp.290-297. ⟨10.1016/j.crci.2011.12.008⟩. ⟨hal-01468410⟩
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ref_biblio: Sebastien Schlienger, Johan Alauzun, Florentin Michaux, L. Vidal, Julien Parmentier, et al.. Micro-, Mesoporous Boron Nitride-Based Materials Templated from Zeolites. Chemistry of Materials, 2012, 24, pp.88. ⟨10.1021/cm201938h⟩. ⟨hal-00660595⟩
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ref_biblio: Laura Gottardo, Samuel Bernard, Christel Gervais, Kathrin Inzenhofer, Günter Motz, et al.. Chemistry, structure and processability of boron-modified polysilazanes as tailored precursors of ceramic fibers. Journal of Materials Chemistry, 2012, 22 (16), pp.7739-7750. ⟨10.1039/c2jm15919h⟩. ⟨hal-01468500⟩
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ref_biblio: Laura Gottardo, Samuel Bernard, Christel Gervais, Markus Weinmann, Philippe Miele. Study of the intermediate pyrolysis steps and mechanism identification of polymer-derived SiBCN ceramics. Journal of Materials Chemistry, 2012, 22 (34), pp.17923-17933. ⟨10.1039/c2jm32737f⟩. ⟨hal-01468497⟩
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ref_biblio: Florentin Michaux, Niki Baccile, Marianne Impéror-Clerc, Luca Malfatti, Nicolas Folliet, et al.. In Situ Time-Resolved SAXS Study of the Formation of Mesostructured Organically Modified Silica through Modeling of Micelles Evolution during Surfactant-Templated Self-Assembly. Langmuir, 2012, 28 (50), pp.17477-17493. ⟨10.1021/la3038318⟩. ⟨hal-01457176⟩
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ref_biblio: Nicolas Folliet, Claire Roiland, Sylvie Bégu, Anne Aubert, Tzonka Mineva, et al.. Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations.. Journal of the American Chemical Society, 2011, 133 (42), pp.16815-16827. ⟨10.1021/ja201002r⟩. ⟨hal-00692389⟩
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ref_biblio: Marc Reinholdt, Jonas Croissant, Lidia Di Carlo, Dominique Granier, Philippe Gaveau, et al.. Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations. Inorganic Chemistry, 2011, 50, pp.7802. ⟨10.1021/ic200961a⟩. ⟨hal-00615204⟩
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ref_biblio: Olivier Majoulet, Johan Alauzun, Laura Gottardo, Christel Gervais, Manfred E. Schuster, et al.. Ordered mesoporous silicoboron carbonitride ceramics from boron-modified polysilazanes: Polymer synthesis, processing and properties. Microporous and Mesoporous Materials, 2011, 140, pp.40-50. ⟨10.1016/j.micromeso.2010.09.008⟩. ⟨hal-00576389⟩
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ref_biblio: David Portehault, Sarala Devi, Patricia Beaunier, Christel Gervais, Cristina Giordano, et al.. A General Solution Route toward Metal Boride Nanocrystals. Angewandte Chemie International Edition, 2011, 50 (14), pp.3262-3265. ⟨10.1002/anie.201006810⟩. ⟨hal-02923117⟩
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ref_biblio: Danielle Laurencin, Neyvis Almora-Barrios, Nora H. de Leeuw, Christel Gervais, Christian Bonhomme, et al.. Magnesium incorporation into hydroxyapatite. Biomaterials, 2011, 32 (7), pp.1826-1837. ⟨10.1016/j.biomaterials.2010.11.017⟩. ⟨hal-00556834⟩
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ref_biblio: J. Andrieux, Umit Bilge Demirci, Julien Hannauer, Christel Gervais, Christelle Goutaudier, et al.. Spontaneous hydrolysis of sodium borohydride in harsh conditions. International Journal of Hydrogen Energy, 2011, 36 (1), pp.224 - 233. ⟨10.1016/j.ijhydene.2010.10.055⟩. ⟨hal-01695752⟩
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ref_biblio: Camillo Falco, Fernando Caballero Perez, Florence Babonneau, Christel Gervais, Guillaume Laurent, et al.. Hydrothermal Carbon from Biomass: Structural Differences between Hydrothermal and Pyrolyzed Carbons via 13C Solid State NMR. Langmuir, 2011, 27 (23), pp.14460-14471. ⟨10.1021/la202361p⟩. ⟨hal-01457064⟩
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ref_biblio: Frédérique Pourpoint, Cristina Coelho, Christel Gervais, Christian Bonhomme, Franck Fayon, et al.. High-resolution solid state NMR experiments for the characterization of calcium phosphate biomaterials and biominerals. Journal of Materials Research, 2011, 26, pp.2355-2368. ⟨10.1557/jmr.2011.250⟩. ⟨hal-00638531⟩
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ref_biblio: R. Paquin, P. Pelupessy, L. Dumas, C. Gervais, G. Bondenhausen. Determination of the antisymmetric part of the chemical shift anisotropy tensor via spin relaxation in nuclear magnetic resonance.. The Journal of Chemical Physics, 2010, 133 (47), pp.034506-10. ⟨10.1063/1.3445777⟩. ⟨hal-00523532⟩
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ref_biblio: N. Brun, R. Janot, Carmen Navarro Sanchez, H. Deleuze, C. Gervais, et al.. Preparation of LiBH4@carbon miro-macrocellular foams : tuning hyrogen release through varying microporosity.. Energy & Environmental Science, 2010, 3 (35), pp.824-830. ⟨10.1039/c000858n⟩. ⟨hal-00494448⟩
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ref_biblio: J. Li, Samuel Bernard, V. Salles, C. Gervais, P. Miele. Preparation of Polyborazylene-Derived Bulk Boron Nitride with Tunable Properties by Warm-Pressing and Pressureless Pyrolysis.. Chemistry of Materials, 2010, 22 (17), pp.2010-2019. ⟨10.1021/CM902972p⟩. ⟨hal-00466020⟩
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ref_biblio: F. Babonneau, Niki Baccile, G. Laurent, J. Maquet, T. Azais, et al.. Solid-state nuclear magnetic resonance: A valuable tool to explore organic-inorganic interfaces in silica-based hybrid materials.. Comptes Rendus. Chimie, 2010, 13 (1-2), pp.58-68. ⟨10.1016/j.crci.2009.08.001⟩. ⟨hal-00462099⟩
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ref_biblio: Christian Bonhomme, C. Gervais, C. Coelho, F. Pourpoint, T. Azaïs, et al.. New perspectives in the PAW/GIPAW (Gauge Including Projected Augmented Wave) approach: JP-O-Si coupling constants, antisymmetric parts of shift tensors and NQR predictions. Magnetic Resonance in Chemistry, 2010, 48, pp.S86-S102. ⟨10.1002/mrc.2635⟩. ⟨hal-00608506⟩
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ref_biblio: D. Caurant, O. Majérus, E. Fadel, A. Quintas, C. Gervais, et al.. Structural investigations of borosilicate glasses containing Mo03 by MAS NMR and Raman spectroscopies. Journal of Nuclear Materials, 2010, 396 (51), pp.94-101. ⟨10.1016/j.jnucmat.2009.10.059⟩. ⟨hal-00448833⟩
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ref_biblio: D. Portehault, C. Giordano, C. Gervais, I. Senkovska, S. Kaskel, et al.. High-Surface-Area Nanoporous Boron Carbon Nitrides for Hydrogen Storage. Advanced Functional Materials, 2010, 20 (42), pp.1827-1833. ⟨10.1002/adfm.201000281⟩. ⟨hal-00506087⟩
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ref_biblio: Lorenzo Stievano, Frederik Tielens, Irene Lopes, Nicolas Folliet, Christel Gervais, et al.. Density Functional Theory Modeling and Calculation of NMR Parameters: An ab Initio Study of the Polymorphs of Bulk Glycine. Crystal Growth & Design, 2010, 10 (8), pp.3657-3667. ⟨10.1021/cg100525h⟩. ⟨hal-00604801⟩
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ref_biblio: Danielle Laurencin, Christel Gervais, Alan Wong, Cristina Coelho, Francesco Mauri, et al.. Implementation of High Resolution 43Ca Solid State NMR Spectroscopy: Toward the Elucidation of Calcium Sites in Biological Materials. Journal of the American Chemical Society, 2009, 131, pp.13430. ⟨10.1021/ja904553q⟩. ⟨hal-00437583⟩
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ref_biblio: A. Pauletti, G. Moskowitz, T. Millan, C. Fernandez-Martin, C. Boissière, et al.. Aerosol-generated mesoporous silicon oxycarbide particles.. Pure and Applied Chemistry, 2009, 81, pp.1449-1457. ⟨10.1351/PAC-CON-08-11-06⟩. ⟨hal-00413795⟩
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ref_biblio: C. Gervais, L. Bonhomme-Coury, Francesco Mauri, F. Babonneau, Christian Bonhomme. GIPAW (gauge including projected augmented wave) and local dynamics in 13C and 29Si solid state NMR: the study case of silsesquioxanes (RSIO1.5)8. Physical Chemistry Chemical Physics, 2009, 11, pp.6953-6961. ⟨10.1039/b907450c⟩. ⟨hal-00411209⟩
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ref_biblio: S. Duperrier, R. Chiriac, C. Sigala, C. Gervais, Samuel Bernard, et al.. Thermal behaviour of a series of poly(B-(methylamino) borazine) for the preparation of boron nitride fibers. Journal of the European Ceramic Society, 2009, 29, pp.851-855. ⟨10.1016/j.jeurceramsoc.2008.07.012⟩. ⟨hal-00411205⟩
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ref_biblio: Sylvain G. Dutremez, Karim Bouchmella, Bruno Alonso, Christel Gervais, Francesco Mauri. 1H, 13C, and 15N solid-state NMR studies of imidazole- and morpholine-based model compounds possessing halogen and hydrogen bonding capabilities. Crystal Growth & Design, 2008, 8 (11), pp.3941. ⟨10.1021/cg700975v⟩. ⟨hal-00343835⟩
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ref_biblio: Christel Gervais, Danielle Laurencin, Alan Wong, Frédérique Pourpoint, John Labram, et al.. New perspectives on calcium environments in inorganic materials containing calcium-oxygen bonds: A combined computational-experimental 43Ca NMR approach.. Chemical Physics Letters, 2008, 464, pp.42-48. ⟨10.1016/j.cplett.2008.09.004⟩. ⟨hal-00358177⟩
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ref_biblio: Gilles Guerrero, Florence Brodard-Séverac, Pierre Florian, Christel Gervais, Maquet Jocelyne, et al.. High-Field 17O MAS NMR Investigation of Phosphonic Acid Monolayers on Titania. Chemistry of Materials, 2008, 20 (16), pp.5191-5196. ⟨10.1021/cm8012683⟩. ⟨hal-00327434⟩
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ref_biblio: Frederik Tielens, Christel Gervais, Jean François Lambert, Francesco Mauri, Dominique Costa. Ab initio study of the hydroxylated surface of amorphous silica : a representative model.. Chemistry of Materials, 2008, 20 (10), pp.3336-3344. ⟨10.1021/cm8001173⟩. ⟨hal-00347955⟩
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ref_biblio: Dominique Costa, Asma Tougerti, Frederik Tielens, Christel Gervais, Lorenzo Stievano, et al.. DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface. Physical Chemistry Chemical Physics, 2008, 10 (42), pp.6360-6368. ⟨10.1039/B806501B⟩. ⟨hal-00799212⟩
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ref_biblio: Alain Mercat, Jean-Christophe Richard, Bruno Vielle, Samir Jaber, David Osman, et al.. Positive end-expiratory pressure setting in adults with acute lung injury and acute respiratory distress syndrome: A randomized controlled trial. Journal of the American Medical Association, 2008, 299 (6), pp.646 - 655. ⟨10.1001/jama.299.6.646⟩. ⟨hal-03268771⟩
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ref_biblio: A. Pauletti, S. Handjani, C. Fernandez-Martin, C. Gervais, F. Babonneau. A new example of periodic mesoporous SiCO glasses with cubic symmetry stable at 1000°C.. J. of the Ceramic Society of Japan, 2008, 116, pp.449-453. ⟨hal-00348239⟩
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ref_biblio: D. Caurant, O. Majerus, E. Fadel, M. Lenoir, Christel Gervais, et al.. Effect of molybdenum on the structure and on the crystallization of SiO2-Na2O-CaO-B2O3 glasses.. Journal of the American Ceramic Society, 2007, pp.774-783. ⟨hal-00326968⟩
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ref_biblio: Gilles Guerrero, Christel Gervais, Christian Bonhomme, Cristina Coelho, Thierry Azaïs, et al.. First principles NMR calculations of phenylphosphinic acid C6H5HPO(OH): Assignments, orientation of tensors by local field experiments and effect of molecular motion. Journal of Magnetic Resonance, 2007, 187 (1), pp.131-140. ⟨10.1016/j.jmr.2007.03.018⟩. ⟨hal-00186742⟩
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ref_biblio: Sylvain Duperrier, Christel Gervais, Samuel Bernard, David Cornu, Florence Babonneau, et al.. Design of a Series of Preceramic B -Tri(methylamino)borazine-Based Polymers as Fiber Precursors: Architecture, Thermal Behavior, and Melt-Spinnability †. Macromolecules, 2007, 40 (4), pp.1018-1027. ⟨10.1021/ma0623035⟩. ⟨hal-02616106⟩
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ref_biblio: Christian Bonhomme, Cristina Coelho, Niki Baccile, Christel Gervais, Thierry Azais, et al.. Advanced solid state NMR techniques for the characterisation of sol-gel derived materials.. Accounts in Chemical Research, 2007, 40, pp.738-746. ⟨hal-00334266⟩
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ref_biblio: Raquel Pena-Alonso, Gino Mariotto, Christel Gervais, Florence Babonneau, Gian Domenico Soraru. New insights on the high temperature nanostructure evolution of SiOC and B-doped SiOC polymer-derived glasses.. Chemistry of Materials, 2007, 19, pp.5694-5702. ⟨hal-00334158⟩
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ref_biblio: Frédérique Pourpoint, Christel Gervais, Laure Bonhomme-Coury, Thierry Azais, Cristina Coelho, et al.. Calcium Phosphates and Hydroxyapatite: Solid State NMR Experiments and First Principles Calculations. Applied Magnetic Resonance, 2007, 32, pp.435-457. ⟨10.1007/s00723-007-0040-1⟩. ⟨hal-00343640⟩
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ref_biblio: I. Bardez, D. Caurant, J. L. Dussossoy, P. Loiseau, C. Gervais, et al.. Development and Characterization of Rare Earth-Rich Glassy Matrices Envisaged for the Immobilization of Concentrated Nuclear Waste Solutions. Nuclear Science and Engineering, 2006, 153, pp.272-284. ⟨hal-00114309⟩
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ref_biblio: S. Duperrier, Samuel Bernard, C. Gervais, D. Cornu, F. Babonneau, et al.. Controlling the chemistry, morphology and structure of boron nitride-based ceramic fibers through a comprehensive mechanistic study of the reactivity of spinnable polymers with ammonia. Journal of Materials Chemistry, 2006, 16, pp.3126-3138. ⟨10.1039/B604482D⟩. ⟨hal-00107477⟩
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ref_biblio: I. Bardez, D. Caurant, P. Loiseau, N. Baffier, J. L. Dussossoy, et al.. Structural characterisation of rare earth rich glasses for nuclear waste immobilisation. Physics and Chemistry of Glasses, 2005, 46, pp.320-329. ⟨hal-00023497⟩
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ref_biblio: Christel Gervais, Beatriz Julian, Eloisa Cordoncillo, Purificacion Escribano, Mark E. Smith, et al.. The use of multinuclear solid state NMR for the characterization of siloxane-oxide hybrid nanocomposites. Materials Research Society Symposia Proceedings, 2005, 847, pp.EE6.2.1. ⟨hal-00077217⟩
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ref_biblio: Christel Gervais, Ray Dupree, Kevin J. Pike, Christian Bonhomme, Mickael Profeta, et al.. Combined First-Principles Computational and Experimental Multinuclear Solid-State NMR Investigation of Amino Acids.. Journal of Physical Chemistry A, 2005, 109, pp.6960-6969. ⟨10.1021/jp0513925⟩. ⟨hal-00020231⟩
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ref_biblio: Christel Gervais, Mickael Profeta, Florence Babonneau, Chris-J. Pickard, Francesco Mauri. Ab Initio Calculations of NMR Parameters of Highly Coordinated Oxygen Sites in Aluminosilicates.. Journal of Physical Chemistry B, 2004, 108, pp.13249-13253. ⟨10.1021/jp048462c⟩. ⟨hal-00086004⟩
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ref_biblio: Christel Gervais, Mickaël Profeta, Vincent Lafond, Christian Bonhomme, Thierry Azaïs, et al.. Combined ab initio computational and experimental multinuclear solid-state magnetic resonance study of phenylphosphonic acid.. Magnetic Resonance in Chemistry, 2004, 42, pp.445-452. ⟨10.1002/mrc.1360⟩. ⟨hal-00086010⟩
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ref_biblio: Liévin Camus, V. Goletto, J. Maquet, Christel Gervais, F. Babonneau, et al.. 1H MAS-NMR at high spinning rate : an interesting characterization toll for hybrid materials.. Journal of Sol-Gel Science and Technology, 2003, 26, pp.311-314. ⟨hal-00597753⟩
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ref_biblio: Christel Gervais, F. Babonneau, L. Ruwisch, R. Hauser, R. Riedel. Solid-state NMR investigations of the polymer route to SiBCN ceramics. Canadian Journal of Chemistry, 2003, 81, pp.1359-1369. ⟨hal-00597704⟩
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ref_biblio: B. Julian, Christel Gervais, E. Cordoncillo, P. Escribano, F. Babonneau, et al.. Synthesis and characterization of transparent PDMS-Metal-Oxo based organi-inorganic nanocomposites. Chemistry of Materials, 2003, 15, pp.3026-3034. ⟨10.1021/cm031054l⟩. ⟨hal-00597588⟩
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ref_biblio: V. Lafond, Christel Gervais, J. Maquet, D. Prochnow, F. Babonneau, et al.. 17O MAS NMR study of the bonding mode of phosphonate coupling molecules in a titanium oxo-alkoxo-phosphonate and in titania-based hybrid materials.. Chemistry of Materials, 2003, 15, pp.4098-4103. ⟨hal-00597577⟩
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ref_biblio: K.W. Völger, E. Kroke, Christel Gervais, T. Saito, F. Babonneau, et al.. B/C/N materials and B4C synthesized by non-oxide-sol-gel-process.. Chemistry of Materials, 2003, 15, pp.755-764. ⟨10.1021/cm021314j⟩. ⟨hal-00597561⟩
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ref_biblio: F. Sanchez, C. Gervais, A. C. Garrabrants, Radu Barna, D. S. Kosson. Leaching of inorganic contaminants from cement-based waste materials as a result of carbonation during intermittent wetting. Waste Management, 2002, 22 (2), p. 249-260. ⟨hal-01845784⟩
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Conference papers

ref_biblio: Chrystelle Salameh, Christel Gervais, Florence Babonneau, Philippe Miele. Synthesis and structural characterization of polymer derived SiAlCN ceramics. 42th International Conference and exposition on advanced ceramics and composites ICACC2018, Jan 2018, Daytona Beach, United States. ⟨hal-01826306⟩
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ref_biblio: Antoine Viard, Christel Gervais, Florence Babonneau, Tanguy Rouxel, Yann Gueguen, et al.. Elaboration, characterization and surface modification of SilicoBoronCarboNitride ceramic hollow fibers. 6th International Congress on Ceramics (ICC-6), Aug 2016, Dresden, Germany. ⟨hal-02861532⟩
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ref_biblio: Antoine Viard, Christel Gervais, Babonneau Florence, Sophie Cerneaux, Philippe Miele, et al.. Melt-spinnable polymer as precursor for SilicoBoroCarboNitride hollow fibers . The 6th international conference on Shaping of Advanced Ceramics, Jul 2016, Montpellier, France. ⟨hal-01687193⟩
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ref_biblio: F. Babonneau, Claire Bonhomme, C. Gervais, Jean-Marie Nedelec, S. Gomes, et al.. Multinuclear solid state NMR characterization of substituted hydroxyapatites. 34th International Conference and Exposition on Advanced Ceramics and Composites (ICACC), Jan 2010, Daytona, United States. ⟨in2p3-00608131⟩
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ref_biblio: Danielle Laurencin, G. Guerrero, J. Amalric, Christian Bonhomme, C. Gervais, et al.. Advanced Solid State NMR Techniques for the Investigation of the Organic-Mineral Interfaces in Biomaterials.. MRS Fall Meeting, Nov 2009, Boston, United States. pp.1236-SS08-02, ⟨10.1557/PROC-1236-SS08-02⟩. ⟨hal-00492955⟩
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ref_biblio: Laura Gottardo, Christel Gervais, Samuel Bernard, Philippe Miele. Design and characterization of novel SiBCN preceramic polymers as potential candidates for a new generation of SiBCN ceramic fibers. 8th Pacific Rim Conference on Ceramic and Glass Technology (PACRIM8), Jun 2009, Vancouver, Canada. ⟨hal-02793670⟩
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ref_biblio: Laura Gottardo, Samuel Bernard, Sylvain Duperrier, David Cornu, Philippe Miele, et al.. Nitride Fibers derived from Preceramic Polymers: Design, Processing and Properties. Sixth International Conference on Inorganic Materials, Sep 2008, Dresden, Germany. ⟨hal-02750815⟩
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ref_biblio: Laura Gottardo, Samuel Bernard, Christel Gervais, A. Brioude, Corneliu Balan, et al.. Investigation of spinning curing and pyrolysis processes for the preparation of polymer derived SiBCN fibers. 8th Conference on Solid State Chemistry SSC2008, Jul 2008, Bratislava, Slovakia. ⟨hal-02750485⟩
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ref_biblio: Daniel Caurant, Odile Majérus, Edouard Fadel, Marion Lenoir, Christel Gervais, et al.. Structural characterization of SiO2-Na2O-CaO-B2O3-MoO3 glasses. XXIst International Congress on Glass, Jul 2007, Strasbourg, France. ⟨hal-00584178⟩
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ref_biblio: Frédérique Pourpoint, Christel Gervais, Laure Bonhomme-Coury, Francesco Mauri, Bruno Alonso, et al.. Calcium phosphates: First-principles calculations vs. solid-state NMR experiments. GERM 2007, 2007, France. pp.398-406, ⟨10.1016/j.crci.2007.09.011⟩. ⟨hal-00277151⟩
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ref_biblio: Arnaud Quintas, Marion Lenoir, D. Caurant, Odile Majérus, Jean-Luc Dussossoy, et al.. Effet de la nature des ions alcalins et alcalino-terreux sur la structure d'un verre riche en terre. Matériaux 2006, Nov 2006, Dijon, France. ⟨hal-00172909⟩
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ref_biblio: Samuel Bernard, Corneliu Balan, Sylvain Duperrier, Christel Gervais, David Cornu, et al.. Spinning of Preceramic Polymers intended for the Preparation of Non-Oxide Ceramic Fibers. 3rd International Conference Shaping of Advanced Ceramics, May 2006, Limoges, France. ⟨hal-02745555⟩
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ref_biblio: Sylvain Duperrier, Samuel Bernard, Jean-Marie Letoffe, David Cornu, Christel Gervais, et al.. Comparative study of poly[(methylamino)borazine] properties for BN fibers preparation. 107th Annual Meeting ACERS – Exposition, and Technology Fair, Apr 2005, Baltimore, United States. ⟨hal-02745392⟩
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ref_biblio: I. Bardez, Daniel Caurant, J.-L. Dussossoy, P. Loiseau, C. Gervais, et al.. Structural Characterizations of Rare Earth-Rich Glasses for Nuclear Waste Immobilization. ATALANTE 2004 (advances for future nuclear fuel cycles), Jun 2004, Nîmes, France. ⟨hal-00177963⟩
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Book sections

ref_biblio: Bruno Alonso, Christian Bonhomme, Christel Gervais, Flavien Guenneau, Danielle Laurencin, et al.. Nuclear Magnetic Resonance as a Tool for the Investigation of Interfaces and Textures in Nanostructured Hybrid Materials. Hybrid Organic-Inorganic Interfaces: Towards Advanced Functional Materials, 2017, ⟨10.1002/9783527807130.ch20⟩. ⟨hal-01936830⟩
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ref_biblio: Samuel Bernard, Mirna Chaker Bechelany, Laura Gottardo, Olivier Majoulet, Ting Ouyang, et al.. Structure, Physical Properties and Industrial Application of a Particular Class of Polymer Chains: The Preceramic Polymers. Polymer Chains: Structure, Physical Properties and Industrial Uses by Régine Penzkofer et Yasue Wu (Edits); Série Chemical Engineering Methods and Technology Polymer Science and Technology, Novapublishers, 327-338, 2012. ⟨hal-02867012⟩
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