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authFullName_s : Chris J. Pickard

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.
Physical Chemistry Chemical Physics, 2014, 16, issue 33 (33), pp.17975-17982. ⟨10.1039/C4CP01486C⟩
Journal articles hal-01058335v1

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.
ChemPhysChem, 2009, 10 (18), pp.3320-9. ⟨10.1002/cphc.200900586⟩
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.
Solid State Nuclear Magnetic Resonance, 2014, 59-60, pp.20-30. ⟨10.1016/j.ssnmr.2014.02.001⟩
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.
Physical Chemistry Chemical Physics, 2011, 13 (43), pp.19471-9. ⟨10.1039/c1cp22289a⟩
Journal articles hal-00813890v1

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 of Computational Chemistry, 2008, 29 (13), pp.2279-87. ⟨10.1002/jcc.21028⟩
Journal articles istex hal-00355708v1

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.
Inorganic Chemistry, 2015, 54 (16), pp.7673--7683. ⟨10.1021/acs.inorgchem.5b00396⟩
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.
Physical Chemistry Chemical Physics, 2006, 8 (29), pp.3423-31. ⟨10.1039/b604520k⟩
Journal articles hal-00863177v1

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 of Magnetic Resonance, 2010, 203 (2), pp.226-35. ⟨10.1016/j.jmr.2009.12.021⟩
Journal articles istex hal-00825636v1

Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H

Yoshihiro Goto , Cédric Tassel , Yasuto Noda , Olivier Hernandez , Chris J. Pickard et al.
Inorganic Chemistry, 2017, 56 (9), pp.4840-4845. ⟨10.1021/acs.inorgchem.6b02834⟩
Journal articles hal-01518046v1

(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.
Physical Chemistry Chemical Physics, 2013, 15 (17), pp.6284-92. ⟨10.1039/c3cp41689e⟩
Journal articles hal-00813622v1