Nombre de documents

22

CV de Jérôme Cuny


Article dans une revue22 documents

  • Simon Pascal, Sandrine Denis-Quanquin, Florence Appaix, Alain Duperray, Alexei Grichine, et al.. Keto-polymethines: a versatile class of dyes with outstanding spectroscopic properties for in cellulo and in vivo two-photon microscopy imaging. Chemical Science , The Royal Society of Chemistry, 2017, 8 (1), pp.381 - 394. <10.1039/C6SC02488B>. <hal-01419954>
  • Jérôme Cuny, Yu Xie, Chris Pickard, Ali Hassanali. Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation. Journal of Chemical Theory and Computation, American Chemical Society, 2016, 12 (2), pp.765-773. <10.1021/acs.jctc.5b01006>. <hal-01272736>
  • Luiz Oliveira, Nathalie Tarrat, Jérôme Cuny, Joseph Morillo, Didier Lemoine, et al.. Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk. Journal of Physical Chemistry A, American Chemical Society, 2016, 120 (42), pp.8469-8483. <10.1021/acs.jpca.6b09292>. <hal-01392312>
  • Kseniia Korchagina, Aude Simon, Mathias Rapacioli, Fernand Spiegelman, Jérôme Cuny. Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach. Journal of Physical Chemistry A, American Chemical Society, 2016, 120 (45), pp.9089-9100. <10.1021/acs.jpca.6b08251>. <hal-01418247>
  • Mathias Rapacioli, Aude Simon, Charlotte Marshall, Jérôme Cuny, Damian Kokkin, et al.. Cationic Methylene–Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies. Journal of Physical Chemistry A, American Chemical Society, 2015, 119 (51), pp.12845-12854. <10.1021/acs.jpca.5b09494>. <hal-01252811>
  • Luiz Oliveira, Jérôme Cuny, Maxime Morinière, Léo Dontot, Aude Simon, et al.. Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (26), pp.17079-17089. <10.1039/C5CP02099A >. <hal-01169312>
  • K. Costuas, A. Garreau, A. Bulou, B. Fontaine, Jérôme Cuny, et al.. Combined theoretical and time-resolved photoluminescence investigations of [Mo6Bri8Bra6]2− metal cluster units: evidence of dual emission. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (43), pp.28574-28585. <10.1039/C5CP03960F>. <hal-01222623>
  • Thi Thuong Nguyen, Julie Jung, Xavier Trivelli, Julien Trébosc, Stéphane Cordier, et al.. Evaluation of 95Mo Nuclear Shielding and Chemical Shift of [Mo6X14]2- Clusters in the Liquid Phase. Inorganic Chemistry, American Chemical Society, 2015, 54, pp.7673--7683. <10.1021/acs.inorgchem.5b00396>. <hal-01188231>
  • Jérôme Cuny, Ali Hassanali. Ab Initio Molecular Dynamics Study of the Mechanism of Proton Recombination with a Weak Base. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (8), pp.13903-13912. <10.1021/jp507246e>. <hal-01121626>
  • Ali Hassanali, Jérôme Cuny, Vincenzo Verdolino, Michele Parrinello. Aqueous solutions: state of the art in ab initio molecular dynamics. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Royal Society, The, 2014, 372, pp.20120482. <10.1098/rsta.2012.0482>. <hal-00954590>
  • Ali Hassanali, Federico Giberti, Jérôme Cuny, Thomas D Kühne, Michele Parrinello. Proton transfer through the water gossamer.. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2013, 110 (34), pp.13723-8. <10.1073/pnas.1306642110>. <hal-00860370>
  • Michele Ceriotti, Jérôme Cuny, Michele Parrinello, E. Manolopoulos. Nuclear quantum effects and hydrogen bond fluctuations in water. Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2013, 110 (39), pp.15591-15596. <10.1073/pnas.1308560110>. <hal-00869799>
  • Jérôme Cuny, Stéphane Cordier, Christiane Perrin, Chris J Pickard, Laurent Delevoye, et al.. 95Mo solid-state nuclear magnetic resonance spectroscopy and quantum simulations : synergetic tools for the study of molybdenum cluster materials.. Inorganic Chemistry, American Chemical Society, 2013, 52 (2), pp.617-27. <10.1021/ic301648s>. <hal-00803728>
  • Camille Latouche, Samia Kahlal, Eric Furet, Ping-Kuei Liao, Yan-Ru Lin, et al.. Shape modulation of octanuclear Cu(I) or Ag(I) dichalcogeno template clusters with respect to the nature of their encapsulated anions: a combined theoretical and experimental investigation. Inorganic Chemistry, American Chemical Society, 2013, 52 (13), pp.7752-7765. <10.1021/ic400959a>. <hal-00874144>
  • Berislav Perić, Stéphane Cordier, Jérôme Cuny, Régis Gautier, Thierry Guizouarn, et al.. High-temperature experimental and theoretical study of magnetic interactions in diamond and pseudo-diamond frameworks built up from hexanuclear tantalum clusters.. Chemistry - A European Journal, Wiley-VCH Verlag, 2011, 17 (22), pp.6263-71. <10.1002/chem.201002332>. <hal-00822343>
  • Patrick Gougeon, Philippe Gall, Jérôme Cuny, Régis Gautier, Laurent Le Pollès, et al.. Synthesis, crystal and electronic structures, and magnetic properties of LiLn9Mo16O35 (Ln = La, Ce, Pr, and Nd) compounds containing the original cluster Mo16O36.. Chemistry - A European Journal, Wiley-VCH Verlag, 2011, 17 (49), pp.13806-13. <10.1002/chem.201101995>. <hal-00824247>
  • Jérôme Cuny, Kateryna Sykina, Bruno Fontaine, Laurent Le Pollès, Chris J. Pickard, et al.. 95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (43), pp.19471-9. <10.1039/c1cp22289a>. <hal-00813890>
  • Jérôme Cuny, Jonathan R. Yates, Régis Gautier, Eric Furet, Eric Le Fur, et al.. Electric field gradient calculations in paramagnetic compounds using the PAW approach. Application to ²³Na NMR in layered vanadium phosphates.. Magnetic Resonance in Chemistry, Wiley, 2010, 48 (Suppl 1), pp.S171-5. <10.1002/mrc.2674>. <hal-00831655>
  • C. Vinod Chandran, Jérôme Cuny, Régis Gautier, Laurent Le Pollès, Chris J. Pickard, et al.. Improving sensitivity and resolution of MQMAS spectra: a 45Sc-NMR case study of scandium sulphate pentahydrate.. Journal of Magnetic Resonance, Elsevier, 2010, 203 (2), pp.226-35. <10.1016/j.jmr.2009.12.021>. <hal-00825636>
  • Jérôme Cuny, Eric Furet, Régis Gautier, Laurent Le Pollès, Chris J. Pickard, et al.. Density functional theory calculations of 95Mo NMR parameters in solid-state compounds.. ChemPhysChem, Wiley-VCH Verlag, 2009, 10 (18), pp.3320-9. <10.1002/cphc.200900586>. <hal-00861419>
  • Patrick Gougeon, Diala Salloum, Jérôme Cuny, Laurent Le Pollès, Marie Le Floch, et al.. Synthesis, Electronic and Crystal Structures, and Physical Studies of the Superconductor Cs1Mo12S14, Final Step of the Condensation of the Mo6L8iL6a Unit. Inorganic Chemistry, American Chemical Society, 2009, 48 (17), pp.8337-8341. <10.1021/ic900960g>. <hal-00861250>
  • Jerome Cuny, Sabri Messaoudi, Veronique Alonzo, Eric Furet, Jean-François Halet, et al.. DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistry.. Journal of Computational Chemistry, Wiley, 2008, 29 (13), pp.2279-87. <10.1002/jcc.21028>. <hal-00355708>