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DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistry.
Jérôme Cuny
,
Sabri Messaoudi
,
Veronique Alonzo
,
Eric Furet
,
Jean-François Halet
et al.
Journal articles
istex
hal-00355708v1
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Combined in-situ X-ray powder diffraction and solid-state NMR study of a new NaVOPO4 polymorph
Thierry Bataille
,
C Kouvatas
,
Roald Boulé
,
Claire Roiland
,
Laurent Le Pollès
et al.
5th International Conference on Sodium Batteries, 2018, Saint-Malo, France
Conference poster
hal-02875527v1
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Synthesis and characterization of composite Hg-polyaniline powder material
Sofiane Bouazza
,
Didier Hauchard
,
Laurent Le Pollès
Journal articles
istex
hal-00189945v1
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NMR study of the LiMnPO(4)*OH and MPO(4)*H(2)O (M = Mn, V) homeotypic phases and DFT calculations.
Aurore Castets
,
Dany Carlier-Larregaray
,
Yuesheng Zhang
,
Florent Boucher
,
Nicolas Marx
et al.
Journal articles
istex
hal-00682186v1
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Combining in situ XRPD and solid state NMR to study ω-VOPO4 among industrial vanadium phosphate catalysts
C Kouvatas
,
Thierry Bataille
,
Laurent Le Pollès
,
Carmelo Prestipino
,
Claire Roiland
et al.
The European Powder Diffraction Conference, 2016, Bari, Italy
Conference papers
hal-02875507v1
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Extended Investigations on Luminescent s2[Mo6Br14]@SiO2Nanoparticles: Physico-Structural Characterizations and Toxicity Studies
Tangi Aubert
,
Francisco Cabello-Hurtado
,
Marie-Andrée Esnault
,
Chrystelle Neaime
,
Dominique Lebret-Chauvel
et al.
Journal articles
hal-00907963v1
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1H NMR Investigations of Activated Carbon Loaded with Volatile Organic Compounds: Quantification, Mechanisms, and Diffusivity Determination
Guirec Le Bozec
,
Sylvain Giraudet
,
Laurent Le Pollès
,
Pierre Le Cloirec
Journal articles
hal-01475698v1
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Insight into electronic and structural properties of CH3NH3PbX3 (X=Cl, Br, I) hybrid perovskites from tight binding modeling and NMR spectroscopy
Boubacar Traoré
,
Claire Roiland
,
Soline Boyer-Richard
,
Gaelle Trippé-Allard
,
Khaoula Jemli
et al.
2nd International Conference on Perovskite Solar Cells and Optoelectronics (PSCO-2016), Sep 2016, Genova, Italy. 2016
Conference poster
hal-01416246v1
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Synthesis, Electronic and Crystal Structures, and Physical Studies of the Superconductor Cs1Mo12S14, Final Step of the Condensation of the Mo6L8iL6a Unit
Patrick Gougeon
,
Diala Salloum
,
Jérôme Cuny
,
Laurent Le Pollès
,
Marie Le Floch
et al.
Journal articles
hal-00861250v1
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Structural, electronic and magnetic properties of layered REB2C compounds (RE=Dy, Tm, Lu)
Volodymyr Babizhetskyy
,
Arndt Simon
,
Constantin Hoch
,
Kurt Hiebl
,
Laurent Le Pollès
et al.
Journal articles
istex
hal-00753761v1
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95Mo solid-state nuclear magnetic resonance spectroscopy and quantum simulations : synergetic tools for the study of molybdenum cluster materials.
Jérôme Cuny
,
Stéphane Cordier
,
Christiane Perrin
,
Chris J Pickard
,
Laurent Delevoye
et al.
Journal articles
hal-00803728v1
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Caractérisation structural multiéchelle de catalyseurs industriels de type vanadophosphate
C Kouvatas
,
Laurent Le Pollès
,
Eric Le Fur
Association Française de Cristallographie, 2018, Lyon, France
Conference papers
hal-02875481v1
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Anomalous Dynamics of a Nanoconfined Gas in a Soft Metal-Organics Framework
Roald Boulé
,
Claire Roiland
,
Thierry Bataille
,
Laurent Le Pollès
,
Nathalie Audebrand
et al.
Journal articles
hal-02120743v1
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Thermal and Guest-Assisted Structural Transition in the NH₂-MIL-53(Al) Metal Organic Framework A Molecular Dynamics Simulation Investigation
Roald Boulé
,
Claire Roland
,
Laurent Le Pollès
,
Nathalie Audebrand
,
Aziz Ghoufi
et al.
Journal articles
hal-01862496v1
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77Se solid-state NMR investigations on As(x)Se(1-x) glasses using CPMG acquisition under MAS.
M. Deschamps
,
Claire Roiland
,
Bruno Bureau
,
G. Yang
,
Laurent Le Pollès
et al.
Journal articles
istex
hal-00640071v1
|
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Color and Brightness Tuning in Heteronuclear Lanthanide Terephthalate Coordination Polymers
Victor Haquin
,
Mael Etienne
,
Carole Daiguebonne
,
Stéphane Freslon
,
Guillaume Calvez
et al.
Journal articles
hal-00847509v1
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95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters.
Jérôme Cuny
,
Kateryna Sykina
,
Bruno Fontaine
,
Laurent Le Pollès
,
Chris J. Pickard
et al.
Journal articles
hal-00813890v1
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Chemical Characterization and Botanical Origin of French Ambers
Youssef Nohra
,
Vincent Perrichot
,
Laurent Jeanneau
,
Laurent Le Pollès
,
Dany Azar
et al.
Journal articles
insu-01163575v1
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Activités autour des pérovskites hybrides sur le site Rennais
Laurent Pedesseau
,
Mikaël Kepenekian
,
Daniel Sapori
,
Laurent Le Pollès
,
Claire Roiland
et al.
1è Journée Pérovskites Hybrides (JPH 2015), Mar 2015, Cachan, France
Conference papers
hal-01162193v1
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A combined 77Se NMR and molecular dynamics contribution to the structural understanding of the chalcogenide glasses
Kateryna Sykina
,
Bruno Bureau
,
Laurent Le Pollès
,
Claire Roiland
,
Michaël Deschamps
et al.
Journal articles
hal-01058335v1
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Utilisation de la RMN du solide paramagnétique pour déterminer le tenseur de susceptibilité magnétique local
Ridvan Ince
,
Nicolas Claiser
,
Mammoudou Diallo
,
Laurent Le Pollès
,
Gwendal Kervern
et al.
RMN GBP, Jun 2021, Rennes, France
Conference papers
hal-03830831v1
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31P NMR applied to vanadium phosphate catalysts: crucial influence of 51V decoupling strategies
C Kouvatas
,
Laurent Le Pollès
,
Claire Roiland
,
Thierry Bataille
,
Eric Le Fur
et al.
European Magnetic Resonance meeting (EUROMAR), 2018, Nantes, France
Conference poster
hal-02875537v1
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Etude in situ par DRX sur poudre et RMN du solide de catalyseurs industriels vanadophosphates : focus sur la phase ω-VOPO4
C Kouvatas
,
Thierry Bataille
,
Laurent Le Pollès
,
Carmelo Prestipino
,
Claire Roiland
et al.
Association Française de Cristallographie, 2016, Marseille, France
Conference papers
hal-02875498v1
|
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Density functional theory calculations of 95Mo NMR parameters in solid-state compounds.
Jérôme Cuny
,
Eric Furet
,
Régis Gautier
,
Laurent Le Pollès
,
Chris J. Pickard
et al.
Journal articles
istex
hal-00861419v1
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Hybrid Perovskite: Solid-State NMR Investigation From Room To Very Low Temperatures
Claire Roiland
,
Laurent Le Pollès
,
Jean-Claude Ameline
,
Bruno Alonso
,
Khaoula Jemli
et al.
1st joint French-Portuguese NMR Conference - XXVII GERM Conference, Apr 2016, Lisbonne, Portugal
Conference papers
hal-01416122v1
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Heteronuclear lanthanide-based coordination polymers exhibiting tunable multiple emission spectra
Xiao Fan
,
Stéphane Freslon
,
Carole Daiguebonne
,
Guillaume Calvez
,
Laurent Le Pollès
et al.
Journal articles
hal-01016002v1
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Solid state 31P NMR study of industrial vanadium phosphate catalysts: 51V decoupling and 31P 2D-PASS CSA amplification measurements
C Kouvatas
,
Laurent Le Pollès
,
Claire Roiland
,
Thierry Bataille
,
Eric Le Fur
et al.
Groupement d’Etude de Résonance Magnétique (GERM), 2016, Sète, France
Conference poster
hal-02875541v1
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Structural studies of industrial VOPO4 catalysts combining XRD, solid state NMR and NMR parameter calculations
C Kouvatas
,
Laurent Le Pollès
,
Claire Roiland
,
Thierry Bataille
,
Eric Le Fur
et al.
SMARTER 5, 2016, Bayreuth, Germany
Conference papers
hal-02875487v1
|
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31P and 51V NMR studies of VOPO4 catalysts: vanadium decoupling, CSA amplification and NMR parameter calculations
C Kouvatas
,
Laurent Le Pollès
,
Claire Roiland
,
Thierry Bataille
,
Eric Le Fur
et al.
Groupement d’Etude de Résonance Magnétique (GERM), 2016, Lisbonne, Portugal
Conference papers
hal-02875516v1
|
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(23)Na multiple-quantum MAS NMR of the perovskites NaNbO(3) and NaTaO(3).
Sharon E. Ashbrook
,
Laurent Le Pollès
,
Régis Gautier
,
Chris J. Pickard
,
Richard I. Walton
et al.
Journal articles
hal-00863177v1
|
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