1. 5-Fluoro-1, 2, 3-triazole motif in peptides and its electronic properties. Issue 43 (20th October 2022) Authors: Laxio Arenas, José; Retailleau, Pascal; Gillet, Jean-Michel; Ghermani, Nour-Eddine; Ongeri, Sandrine; Crousse, Benoît Journal: Organic & biomolecular chemistry Issue: Volume 20:Issue 43(2022) Page Start: 8410 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Density functional theory and liquid chromatography-multistage mass spectrometry to characterize raltitrexed photo-degradation mechanisms. Issue 96 (30th September 2016) Authors: Sadou-Yayé, Hassane; Karoui, Maher; Secrétan, Philippe-Henri; Ghermani, Noureddine; Gillet, Jean-Michel; Safta, Fathi; Yagoubi, Najet; Do, Bernard Journal: RSC advances Issue: Volume 6:Issue 96(2016) Page Start: 93801 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Density functional theory and liquid chromatography-multistage mass spectrometry to characterize raltitrexed photo-degradation mechanisms. Issue 96 (30th September 2016) Authors: Sadou-Yayé, Hassane; Karoui, Maher; Secrétan, Philippe-Henri; Ghermani, Noureddine; Gillet, Jean-Michel; Safta, Fathi; Yagoubi, Najet; Do, Bernard Journal: RSC advances Issue: Volume 6:Issue 96(2016) Page Start: 93801 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Development of a joint refinement model for the spin‐resolved one‐electron reduced density matrix using different data sets. Issue 2 (1st March 2018) Authors: Gueddida, Saber; Yan, Zeyin; Gillet, Jean-Michel Journal: Acta crystallographica Issue: Volume 74:Issue 2(2018:Mar.) Page Start: 131 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments. (2014) Authors: Deutsch, Maxime; Gillon, Beatrice; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Souhassou, Mohamed Journal: IUCrJ Issue: Volume 1:Part 3(2014) Page Start: 194 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Inferring the one‐electron reduced density matrix of molecular crystals from experimental data sets through semidefinite programming. Issue 1 (9th December 2019) Authors: De Bruyne, Benjamin; Gillet, Jean-Michel Journal: Acta crystallographica Issue: Volume 76:Issue 1(2020:Jan.) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges. (2015) Authors: Macchi, Piero; Gillet, Jean-Michel; Taulelle, Francis; Campo, Javier; Claisere, Nicolas; Lecomte, Claude Journal: IUCrJ Issue: Volume 2:Part 4(2015) Page Start: 441 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. N‐Representable one‐electron reduced density matrices reconstruction at non‐zero temperatures. Issue 5 (21st September 2021) Authors: Launay, Yoann; Gillet, Jean-Michel Journal: Acta crystallographica Issue: Volume 77:Issue 5(2021) Page Start: 683 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Spin‐resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite. Issue 2 (2nd February 2021) Authors: Kibalin, Iurii; Voufack, Ariste Bolivard; Souhassou, Mohamed; Gillon, Béatrice; Gillet, Jean-Michel; Claiser, Nicolas; Gukasov, Arsen; Porcher, Florence; Lecomte, Claude Journal: Acta crystallographica Issue: Volume 77:Issue 2(2021) Page Start: 96 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. When combined X‐ray and polarized neutron diffraction data challenge high‐level calculations: spin‐resolved electron density of an organic radical. Issue 4 (1st August 2017) Authors: Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed Journal: Acta crystallographica Issue: Volume 73:Issue 4(2017:Aug.) Page Start: 544 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗