Gillet JM - Search Results

1

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

Kibalin I, Voufack AB, Souhassou M, Gillon B, Gillet JM, Claiser N, Gukasov A, Porcher F, Lecomte C. Kibalin I, et al. Among authors: gillet jm. Acta Crystallogr A Found Adv. 2021 Mar 1;77(Pt 2):96-104. doi: 10.1107/S205327332001637X. Epub 2021 Feb 2. Acta Crystallogr A Found Adv. 2021. PMID: 33646195

2

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

Gillet JM. Gillet JM. Acta Crystallogr A. 2007 May;63(Pt 3):234-8. doi: 10.1107/S0108767307001663. Epub 2007 Apr 13. Acta Crystallogr A. 2007. PMID: 17435287

3

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

Deutsch M, Claiser N, Gillet JM, Lecomte C, Sakiyama H, Tone K, Souhassou M. Deutsch M, et al. Among authors: gillet jm. Acta Crystallogr B. 2011 Aug;67(Pt 4):324-32. doi: 10.1107/S0108768111022671. Epub 2011 Jul 18. Acta Crystallogr B. 2011. PMID: 21775811

4

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

Deutsch M, Claiser N, Pillet S, Chumakov Y, Becker P, Gillet JM, Gillon B, Lecomte C, Souhassou M. Deutsch M, et al. Among authors: gillet jm. Acta Crystallogr A. 2012 Nov;68(Pt 6):675-86. doi: 10.1107/S0108767312031996. Epub 2012 Sep 18. Acta Crystallogr A. 2012. PMID: 23075610

5

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

Deutsch M, Gillon B, Claiser N, Gillet JM, Lecomte C, Souhassou M. Deutsch M, et al. Among authors: gillet jm. IUCrJ. 2014 Apr 14;1(Pt 3):194-9. doi: 10.1107/S2052252514007283. eCollection 2014 May 1. IUCrJ. 2014. PMID: 25075338 Free PMC article.

6

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

Macchi P, Gillet JM, Taulelle F, Campo J, Claiser N, Lecomte C. Macchi P, et al. Among authors: gillet jm. IUCrJ. 2015 May 14;2(Pt 4):441-51. doi: 10.1107/S2052252515007538. eCollection 2015 Jul 1. IUCrJ. 2015. PMID: 26175903 Free PMC article. Review.

7

When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.

Voufack AB, Claiser N, Lecomte C, Pillet S, Pontillon Y, Gillon B, Yan Z, Gillet JM, Marazzi M, Genoni A, Souhassou M. Voufack AB, et al. Among authors: gillet jm. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Aug 1;73(Pt 4):544-549. doi: 10.1107/S2052520617008241. Epub 2017 Jul 28. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017. PMID: 28762966

8

Quantum Crystallography: Current Developments and Future Perspectives.

Genoni A, Bučinský L, Claiser N, Contreras-García J, Dittrich B, Dominiak PM, Espinosa E, Gatti C, Giannozzi P, Gillet JM, Jayatilaka D, Macchi P, Madsen AØ, Massa L, Matta CF, Merz KM Jr, Nakashima PNH, Ott H, Ryde U, Schwarz K, Sierka M, Grabowsky S. Genoni A, et al. Among authors: gillet jm. Chemistry. 2018 Aug 1;24(43):10881-10905. doi: 10.1002/chem.201705952. Epub 2018 Jul 13. Chemistry. 2018. PMID: 29488652

9

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

Gueddida S, Yan Z, Gillet JM. Gueddida S, et al. Among authors: gillet jm. Acta Crystallogr A Found Adv. 2018 Mar 1;74(Pt 2):131-142. doi: 10.1107/S2053273318000384. Epub 2018 Mar 1. Acta Crystallogr A Found Adv. 2018. PMID: 29493542

10

Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO₃ using magnetic structure factors and magnetic Compton profiles data.

Gueddida S, Yan Z, Kibalin I, Voufack AB, Claiser N, Souhassou M, Lecomte C, Gillon B, Gillet JM. Gueddida S, et al. Among authors: gillet jm. J Chem Phys. 2018 Apr 28;148(16):164106. doi: 10.1063/1.5022770. J Chem Phys. 2018. PMID: 29716230

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