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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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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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Solid-state NMR/NQR and first-principles study of two niobium halide cluster compounds.
Berislav Perić
,
Régis Gautier
,
Chris J. Pickard
,
Marko Bosiočić
,
Mihael S. Grbić
et al.
Journal articles
hal-00973433v1
|
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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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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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Evaluation of 95Mo Nuclear Shielding and Chemical Shift of [Mo6X14]2- Clusters in the Liquid Phase
Thi Thuong Nguyen
,
Julie Jung
,
Xavier Trivelli
,
Julien Trébosc
,
Stéphane Cordier
et al.
Journal articles
hal-01188231v1
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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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Improving sensitivity and resolution of MQMAS spectra: a 45Sc-NMR case study of scandium sulphate pentahydrate.
C. Vinod Chandran
,
Jérôme Cuny
,
Régis Gautier
,
Laurent Le Pollès
,
Chris J. Pickard
et al.
Journal articles
istex
hal-00825636v1
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Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H
Yoshihiro Goto
,
Cédric Tassel
,
Yasuto Noda
,
Olivier Hernandez
,
Chris J. Pickard
et al.
Journal articles
hal-01518046v1
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(77)Se solid-state NMR of As2Se3, As4Se4 and As4Se3 crystals: a combined experimental and computational study.
Kateryna Sykina
,
Guang Yang
,
Claire Roiland
,
Laurent Le Pollès
,
Eric Le Fur
et al.
Journal articles
hal-00813622v1
|
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