Zobrazeno 1 - 10 of 50 pro vyhledávání: '"Nicolas, Claiser"'
1
Akademický článek
Spin resolved electron density study of YTiO3 in its ferromagnetic phase: signature of orbital ordering
Autor: Ariste Bolivard Voufack, Iurii Kibalin, Zeyin Yan, Nicolas Claiser, Saber Gueddida, Béatrice Gillon, Florence Porcher, Arsen Gukasov, Kunishisa Sugimoto, Claude Lecomte, Slimane Dahaoui, Jean-Michel Gillet, Mohamed Souhassou
Publikováno v: IUCrJ, Vol 6, Iss 5, Pp 884-894 (2019)
The present work reports on the charge and spin density modelling of YTiO3 in its ferromagnetic state (TC = 27 K). Accurate polarized neutron diffraction and high-resolution X-ray diffraction (XRD) experiments were carried out on a single crystal at
Externí odkaz: https://doaj.org/article/b055a1a717094fb08be80821a58fdd7c
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2
Determining Local Magnetic Susceptibility Tensors in Paramagnetic Lanthanide Crystalline Powders from Solid-State NMR Chemical Shift Anisotropies
Autor: Ridvan Ince, Abdelatif Doudouh, Nicolas Claiser, Éric Furet, Thierry Guizouarn, Laurent Le Pollès, Gwendal Kervern
Publikováno v: The Journal of physical chemistry
The Journal of physical chemistry, 2023, 127 (6), pp.1547-1554. ⟨10.1021/acs.jpca.2c06955⟩
International audience; Exploring magnetic properties at the molecular level is a challenge that have been met by developing many experimental and theoretical solutions such as polarized neutron diffraction (PND), muon-spin rotation (µ-SR), electron
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf7b51c4b40b42252f0857410b2d13d1
https://doi.org/10.1021/acs.jpca.2c06955
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3
Akademický článek
Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br...π interaction in an ebselen derivative via experimental and theoretical electron-density analysis
Autor: Rahul Shukla, Nicolas Claiser, Mohamed Souhassou, Claude Lecomte, Shah Jaimin Balkrishna, Sangit Kumar, Deepak Chopra
Publikováno v: IUCrJ, Vol 5, Iss 5, Pp 647-653 (2018)
In this study, the nature and characteristics of a short Br...π interaction observed in an ebselen derivative, 2-(2-bromophenyl)benzo[d][1,2]selenazol-3(2H)-one, has been explored. The electronic nature of this Br...π interaction was investigated v
Externí odkaz: https://doaj.org/article/09a4ca2b34494133bd44aac608ca79b7
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4
Akademický článek
Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
Autor: Piero Macchi, Jean-Michel Gillet, Francis Taulelle, Javier Campo, Nicolas Claiser, Claude Lecomte
Publikováno v: IUCrJ, Vol 2, Iss 4, Pp 441-451 (2015)
Electron density is a fundamental quantity that enables understanding of the chemical bonding in a molecule or in a solid and the chemical/physical property of a material. Because electrons have a charge and a spin, two kinds of electron densities ar
Externí odkaz: https://doaj.org/article/cf23b7612d8f4ed8b2be1165089e86d3
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5
Spin-resolved charge density and wavefunction refinements using MOLLYNX: a review
Autor: Ariste Bolivar Voufack, Nicolas Claiser, Iurii Kiblin, M. Deutsch, Mohamed Souhassou, Claude Lecomte
Publikováno v: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, International Union of Crystallography, 2021, 77 (5), pp.706-714. ⟨10.1107/S2052520621008222⟩
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-...]
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2021, 77 (5), pp.706-714. ⟨10.1107/S2052520621008222⟩
MOLLYNX is a new crystallographic tool developed to access a more precise description of the spin-dependent electron density of magnetic crystals, taking advantage of the richness of experimental information from high-resolution X-ray diffraction (XR
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c093089e53f3d7ef387ed06ab9f7bd3
https://doi.org/10.1107/s2052520621008222
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6
Akademický článek
First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments
Autor: Maxime Deutsch, Béatrice Gillon, Nicolas Claiser, Jean-Michel Gillet, Claude Lecomte, Mohamed Souhassou
Publikováno v: IUCrJ, Vol 1, Iss 3, Pp 194-199 (2014)
Since the 1980s it has been possible to probe crystallized matter, thanks to X-ray or neutron scattering techniques, to obtain an accurate charge density or spin distribution at the atomic scale. Despite the description of the same physical quantity
Externí odkaz: https://doaj.org/article/17b8bcb008524a7e9075699977dc91e8
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7
Akademický článek
Crystal structure of 3,5-bis(4-chlorophenyl)-1-propyl-1,3,5-triazacyclohexane
Autor: Leila Lefrada, Ahcene Bouchemma, Sofiane Bouacida, Nicolas Claiser, Mohamed Souhassou
Publikováno v: Acta Crystallographica Section E, Vol 70, Iss 9, Pp o1061-o1062 (2014)
In the title molecule, C18H21Cl2N3, the triazacyclohexane ring adopts a chair conformation with both 4-chlorophenyl substituents in axial positions and the propyl group in an equatorial site. The dihedral angle between the planes of the benzene rings
Externí odkaz: https://doaj.org/article/8447e1397f9440e88b2ff1381d2ab78e
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8
Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO 3 perovskite
Autor: Florence Porcher, Béatrice Gillon, Ariste Bolivard Voufack, Iurii Kibalin, Jean Michel Gillet, Arsen Gukasov, Mohamed Souhassou, Nicolas Claiser, Claude Lecomte
Publikováno v: Acta Crystallographica Section A Foundations and Advances
Acta Crystallographica Section A Foundations and Advances, International Union of Crystallography, 2021, 77 (2), pp.96-104. ⟨10.1107/S205327332001637X⟩
Acta Crystallographica Section A : Foundations and Advances [2014-...]
Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, 77 (2), pp.96-104. ⟨10.1107/S205327332001637X⟩
A new crystallographic method is proposed in order to refine a spin-resolved atomic orbital model against X-ray and polarized neutron diffraction data. This atomic orbital model is applied to the YTiO3 perovskite crystal, where orbital ordering has p
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40fc7030fb12a68d4f26f61081b57e8f
https://hal.archives-ouvertes.fr/hal-03254153/file/pub_orb_mod_acta_finalRev3.pdf
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10
Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO
Autor: Iurii, Kibalin, Ariste Bolivard, Voufack, Mohamed, Souhassou, Béatrice, Gillon, Jean Michel, Gillet, Nicolas, Claiser, Arsen, Gukasov, Florence, Porcher, Claude, Lecomte
Publikováno v: Acta crystallographica. Section A, Foundations and advances. 77(Pt 2)
A new crystallographic method is proposed in order to refine a spin-resolved atomic orbital model against X-ray and polarized neutron diffraction data. This atomic orbital model is applied to the YTiO
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::26500a64ee951abbd1b83b7549a8285b
https://pubmed.ncbi.nlm.nih.gov/33646195
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