Zobrazeno 1 - 10
of 69
pro vyhledávání: '"Jean Michel Gillet"'
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
Autor:
José Laxio Arenas, Pascal Retailleau, Jean-Michel Gillet, Nour-Eddine Ghermani, Sandrine Ongeri, Benoît Crousse
Publikováno v:
Organic & Biomolecular Chemistry. 20:8410-8414
The 5-fluoro triazole amino acid scaffold prepared by halogen exchange has been incorporated into peptides. From the X-ray diffraction of the 5-fluoro triazole motif, the main observation was an important localization on one side of the negative pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edc17db6bab8aa19fb03c8247a6c0b7b
https://doi.org/10.1039/d2ob01716d
https://doi.org/10.1039/d2ob01716d
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
Autor:
Yoann Launay, Jean-Michel Gillet
Publikováno v:
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 77:683-694
This article retraces different methods that have been explored to account for the atomic thermal motion in the reconstruction of one-electron reduced density matrices from experimental X-ray structure factors (XSF) and directional Compton profiles (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18c3ed1faffe766e48004ffbc8cf08c0
https://doi.org/10.1107/s2052520621007228
https://doi.org/10.1107/s2052520621007228
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
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⟩
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
https://hal.archives-ouvertes.fr/hal-03254153/file/pub_orb_mod_acta_finalRev3.pdf
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
https://pubmed.ncbi.nlm.nih.gov/33646195
Autor:
Slimane Dahaoui, Nour-Eddine Ghermani, Béatrice Nicolaï, Bertrand Fournier, Jean-Michel Gillet
Publikováno v:
Crystal Growth & Design. 19:1308-1321
Carbamazepine (CBZ) and aspirin (ASP) drug molecules in their 1:1 cocrystal interact by relatively strong hydrogen bonds and aromatic–aromatic contacts. The crystal structure and the experimental electron density in the CBZ:ASP cocrystal were deriv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8c7728c04b41128ec4f26427929c47a3
https://doi.org/10.1021/acs.cgd.8b01698
https://doi.org/10.1021/acs.cgd.8b01698
Autor:
Yoann Levis Launay, Jean-Michel Gillet
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 77:C69-C69
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7d20876f11e012f248e80d8c509dd50
https://doi.org/10.1107/s0108767321096100
https://doi.org/10.1107/s0108767321096100