Search Results - "Gillet, Jean‐Michel" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Quantum Crystallography: Current Developments and Future Perspectives

Quantum Crystallography: Current Developments and Future Perspectives

by Genoni, Alessandro, Bučinský, Lukas, Claiser, Nicolas, Contreras‐García, Julia, Dittrich, Birger, Dominiak, Paulina M., Espinosa, Enrique, Gatti, Carlo, Giannozzi, Paolo, Gillet, Jean‐Michel, Jayatilaka, Dylan, Macchi, Piero, Madsen, Anders Ø., Massa, Lou, Matta, Chérif F., Merz, Kenneth M., Nakashima, Philip N. H., Ott, Holger, Ryde, Ulf, Schwarz, Karlheinz, Sierka, Marek, Grabowsky, Simon
Published in Chemistry : a European journal (01.08.2018)

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Non-Photochemical Laser-Induced Nucleation of Sulfathiazole in a Water/Ethanol Mixture

Non-Photochemical Laser-Induced Nucleation of Sulfathiazole in a Water/Ethanol Mixture

by Li, Wenjing, Ikni, Aziza, Scouflaire, Philippe, Shi, Xiaoxuan, El Hassan, Nouha, Gémeiner, Pascale, Gillet, Jean-Michel, Spasojević-de Biré, Anne
Published in Crystal growth & design (04.05.2016)

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Experimental Demonstration of the Carbamazepine Crystallization from Non-photochemical Laser-Induced Nucleation in Acetonitrile and Methanol

Experimental Demonstration of the Carbamazepine Crystallization from Non-photochemical Laser-Induced Nucleation in Acetonitrile and Methanol

by Ikni, Aziza, Clair, Bertrand, Scouflaire, Philippe, Veesler, Stéphane, Gillet, Jean-Michel, El Hassan, Nouha, Dumas, Françoise, Spasojević-de Biré, Anne
Published in Crystal growth & design (02.07.2014)

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$First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments$

First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments

by Deutsch, Maxime, Gillon, Béatrice, Claiser, Nicolas, Gillet, Jean-Michel, Lecomte, Claude, Souhassou, Mohamed
Published in IUCrJ (01.05.2014)

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Spin resolved electron density study of YTiO3 in its ferromagnetic phase: signature of orbital ordering

Spin resolved electron density study of YTiO3 in its ferromagnetic phase: signature of orbital ordering

by Voufack, Ariste Bolivard, Kibalin, Iurii, Zeyin Yan, Claiser, Nicolas, Saber Gueddida, Gillon, Béatrice, Porcher, Florence, Gukasov, Arsen, Sugimoto, Kunishisa, Lecomte, Claude, Dahaoui, Slimane, Gillet, Jean-Michel, Souhassou, Mohamed
Published in IUCrJ (01.09.2019)

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Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

by Macchi, Piero, Gillet, Jean-Michel, Taulelle, Francis, Campo, Javier, Claiser, Nicolas, Lecomte, Claude
Published in IUCrJ (01.07.2015)

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$Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data$

Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data

by Deutsch, Maxime, Claiser, Nicolas, Pillet, Sébastien, Chumakov, Yurii, Becker, Pierre, Gillet, Jean-Michel, Gillon, Béatrice, Lecomte, Claude, Souhassou, Mohamed
Published in Acta crystallographica. Section A, Foundations of crystallography (01.11.2012)

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N‐representable one‐electron reduced density matrix reconstruction with frozen core electrons

N‐representable one‐electron reduced density matrix reconstruction with frozen core electrons

by Yu, Sizhuo, Gillet, Jean-Michel
Published in Acta crystallographica. Section A, Foundations and advances (01.05.2024)

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d-Orbital orientation in a dimer cobalt complex: link to magnetic properties?

d-Orbital orientation in a dimer cobalt complex: link to magnetic properties?

by Deutsch, Maxime, Claiser, Nicolas, Gillet, Jean-Michel, Lecomte, Claude, Sakiyama, Hiroshi, Tone, Katsuya, Souhassou, Mohamed
Published in Acta crystallographica. Section B, Structural science (01.08.2011)

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Inferring the one‐electron reduced density matrix of molecular crystals from experimental data sets through semidefinite programming

Inferring the one‐electron reduced density matrix of molecular crystals from experimental data sets through semidefinite programming

by De Bruyne, Benjamin, Gillet, Jean-Michel
Published in Acta crystallographica. Section A, Foundations and advances (01.01.2020)

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N‐Representable one‐electron reduced density matrices reconstruction at non‐zero temperatures

N‐Representable one‐electron reduced density matrices reconstruction at non‐zero temperatures

by Launay, Yoann, Gillet, Jean-Michel
Published in Acta crystallographica. Section B, Structural science (01.10.2021)

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Quo vadis, quantum crystallography?

Quo vadis, quantum crystallography?

by Jean Michel Gillet, Macchi, Piero
Published in Acta crystallographica. Section B, Structural science (01.12.2021)

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Journal Article

Crystal and Electron Properties of Carbamazepine–Aspirin Co-crystal

Crystal and Electron Properties of Carbamazepine–Aspirin Co-crystal

by Nicolaï, Béatrice, Fournier, Bertrand, Dahaoui, Slimane, Gillet, Jean-Michel, Ghermani, Nour-Eddine
Published in Crystal growth & design (06.02.2019)

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5-Fluoro-1,2,3-triazole motif in peptides and its electronic properties

5-Fluoro-1,2,3-triazole motif in peptides and its electronic properties

by Laxio Arenas, José, Retailleau, Pascal, Gillet, Jean-Michel, Ghermani, Nour-Eddine, Ongeri, Sandrine, Crousse, Benoît
Published in Organic & biomolecular chemistry (09.11.2022)

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Determination of a one-electron reduced density matrix using a coupled pseudo-atom model and a set of complementary scattering data

Determination of a one-electron reduced density matrix using a coupled pseudo-atom model and a set of complementary scattering data

by Gillet, Jean-Michel
Published in Acta crystallographica. Section A, Foundations of crystallography (01.05.2007)

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Spin‐resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite

Spin‐resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite

by Kibalin, Iurii, Voufack, Ariste Bolivard, Souhassou, Mohamed, Gillon, Béatrice, Gillet, Jean-Michel, Claiser, Nicolas, Gukasov, Arsen, Porcher, Florence, Lecomte, Claude
Published in Acta crystallographica. Section A, Foundations and advances (01.03.2021)

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Development of a joint refinement model for the spin‐resolved one‐electron reduced density matrix using different data sets

Development of a joint refinement model for the spin‐resolved one‐electron reduced density matrix using different data sets

by Gueddida, Saber, Yan, Zeyin, Gillet, Jean-Michel
Published in Acta crystallographica. Section A, Foundations and advances (01.03.2018)

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Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO 3 perovskite

Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO 3 perovskite

by Kibalin, Iurii, Voufack, Ariste Bolivard, Souhassou, Mohamed, Gillon, Béatrice, Gillet, Jean Michel, Claiser, Nicolas, Gukasov, Arsen, Porcher, Florence, Lecomte, Claude
Published in Acta crystallographica. Section A, Foundations and advances (01.03.2021)

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Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods

Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods

by Pucheta, Jose Enrique Herbert, Prim, Damien, Gillet, Jean Michel, Farjon, Jonathan
Published in Chemphyschem (04.04.2016)

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Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

by Bošnjaković-Pavlović, Nada, Xu, Xiao, Krstić, Danijela, Gillet, Jean-Michel, Wei, Yongge, Wu, Pingfan, Čolović, Mirjana, Spasojević-de Biré, Anne
Published in Journal of inorganic biochemistry (01.09.2019)

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