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Experimental and Theoretical Investigation of the Anti-Ferromagnetic Coupling of CrIII Ions through Diamagnetic -O-NbV-O- Bridges.
Inorg Chem. 2017 Jun 19;56(12):6879-6889. doi: 10.1021/acs.inorgchem.7b00181. Epub 2017 Jun 6.
Inorg Chem. 2017.
PMID: 28586215
Free article.
Thermodynamic Evidence of Proximity to a Kitaev Spin Liquid in Ag_{3}LiIr_{2}O_{6}.
Bahrami F, Lafargue-Dit-Hauret W, Lebedev OI, Movshovich R, Yang HY, Broido D, Rocquefelte X, Tafti F.
Bahrami F, et al. Among authors: lafargue dit hauret w.
Phys Rev Lett. 2019 Dec 6;123(23):237203. doi: 10.1103/PhysRevLett.123.237203.
Phys Rev Lett. 2019.
PMID: 31868481
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Unveiling electronic and magnetic properties of Cu3(SeO3)2Cl2and Cu3(TeO3)2Br2oxohalide systems via first-principles calculations.
Lafargue-Dit-Hauret W, Rocquefelte X.
Lafargue-Dit-Hauret W, et al.
J Phys Condens Matter. 2021 Dec 13;34(9). doi: 10.1088/1361-648X/ac3cf0.
J Phys Condens Matter. 2021.
PMID: 34818633
Free article.
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Bis-Heteroleptic Cationic Iridium(III) Complexes Featuring Cyclometalating 2-Phenylbenzimidazole Ligands: A Combined Experimental and Theoretical Study.
Martìnez-Vollbert E, Ciambrone C, Lafargue-Dit-Hauret W, Latouche C, Loiseau F, Lanoë PH.
Martìnez-Vollbert E, et al. Among authors: lafargue dit hauret w.
Inorg Chem. 2022 Feb 21;61(7):3033-3049. doi: 10.1021/acs.inorgchem.1c02968. Epub 2022 Feb 10.
Inorg Chem. 2022.
PMID: 35143722
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First-principles calculations to identify key native point defects in Sr4Al14O25.
Lafargue-Dit-Hauret W, Latouche C, Allix M, Viana B, Jobic S.
Lafargue-Dit-Hauret W, et al.
Phys Chem Chem Phys. 2022 Jan 26;24(4):2482-2490. doi: 10.1039/d1cp03906g.
Phys Chem Chem Phys. 2022.
PMID: 35023517
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CHNO - Formylnitrene, Cyanic, Isocyanic, Fulminic, and Isofulminic Acids and their Interrelationships at DFT and CASPT2 Levels of Theory.
Bégué D, Lafargue-Dit-Hauret W, Dargelos A, Wentrup C.
Bégué D, et al. Among authors: lafargue dit hauret w.
J Phys Chem A. 2023 Nov 2;127(43):9088-9097. doi: 10.1021/acs.jpca.3c05805. Epub 2023 Oct 24.
J Phys Chem A. 2023.
PMID: 37875391
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Generation of Helical States - Breaking of Symmetries, Curie's Principle, and Excited States.
Sabalot-Cuzzubbo J, Lafargue-Dit-Hauret W, Rérat M, Costuas K, Bégué D, Cresson J.
Sabalot-Cuzzubbo J, et al. Among authors: lafargue dit hauret w.
Chemphyschem. 2023 Jun 15;24(12):e202200951. doi: 10.1002/cphc.202200951. Epub 2023 Apr 13.
Chemphyschem. 2023.
PMID: 36852555
Free article.
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