Doublet ML - Search Results

1

AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents.

Binninger T, Saraç D, Marsh L, Picard T, Doublet ML, Raynaud C. Binninger T, et al. Among authors: doublet ml. J Chem Theory Comput. 2023 Feb 14;19(3):1023-1034. doi: 10.1021/acs.jctc.2c00926. Epub 2023 Jan 24. J Chem Theory Comput. 2023. PMID: 36692444

2

Advancement of the Homogeneous Background Method for the Computational Simulation of Electrochemical Interfaces.

Hagopian A, Doublet ML, Filhol JS, Binninger T. Hagopian A, et al. Among authors: doublet ml. J Chem Theory Comput. 2022 Mar 8;18(3):1883-1893. doi: 10.1021/acs.jctc.1c01237. Epub 2022 Feb 16. J Chem Theory Comput. 2022. PMID: 35170945

3

Investigating the abnormal conductivity behaviour of divalent cations in low dielectric constant tetraglyme-based electrolytes.

Nguyen LHB, Picard T, Iojoiu C, Alloin F, Sergent N, Doublet ML, Filhol JS. Nguyen LHB, et al. Among authors: doublet ml. Phys Chem Chem Phys. 2022 Sep 21;24(36):21601-21611. doi: 10.1039/d2cp03200g. Phys Chem Chem Phys. 2022. PMID: 36004582

4

The Ir-OOOO-Ir transition state and the mechanism of the oxygen evolution reaction on IrO₂(110).

Binninger T, Doublet ML. Binninger T, et al. Among authors: doublet ml. Energy Environ Sci. 2022 May 4;15(6):2519-2528. doi: 10.1039/d2ee00158f. eCollection 2022 Jun 15. Energy Environ Sci. 2022. PMID: 36204599 Free PMC article.

5

Electrolyte Reactivity in the Double Layer in Mg Batteries: An Interface Potential-Dependent DFT Study.

Kopač Lautar A, Bitenc J, Rejec T, Dominko R, Filhol JS, Doublet ML. Kopač Lautar A, et al. Among authors: doublet ml. J Am Chem Soc. 2020 Mar 18;142(11):5146-5153. doi: 10.1021/jacs.9b12474. Epub 2020 Feb 21. J Am Chem Soc. 2020. PMID: 32031361 Free article.

6

Charge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries.

Jacquet Q, Iadecola A, Saubanère M, Li H, Berg EJ, Rousse G, Cabana J, Doublet ML, Tarascon JM. Jacquet Q, et al. Among authors: doublet ml. J Am Chem Soc. 2019 Jul 24;141(29):11452-11464. doi: 10.1021/jacs.8b11413. Epub 2019 Jul 10. J Am Chem Soc. 2019. PMID: 31290652

7

Updated references for the structural, electronic, and vibrational properties of TiO2(B) bulk using first-principles density functional theory calculations.

Ben Yahia M, Lemoigno F, Beuvier T, Filhol JS, Richard-Plouet M, Brohan L, Doublet ML. Ben Yahia M, et al. Among authors: doublet ml. J Chem Phys. 2009 May 28;130(20):204501. doi: 10.1063/1.3130674. J Chem Phys. 2009. PMID: 19485451

8

Stacking Versatility in Alkali-Mixed Honeycomb Layered NaKNi₂TeO₆.

Berthelot R, Serrano-Sevillano J, Fraisse B, Fauth F, Weill F, Laurencin D, Casas-Cabanas M, Carlier D, Rousse G, Doublet ML. Berthelot R, et al. Among authors: doublet ml. Inorg Chem. 2021 Sep 20;60(18):14310-14317. doi: 10.1021/acs.inorgchem.1c01876. Epub 2021 Sep 2. Inorg Chem. 2021. PMID: 34472850

9

Chemical Activity of the Peroxide/Oxide Redox Couple: Case Study of Ba₅Ru₂O₁₁ in Aqueous and Organic Solvents.

Grimaud A, Iadecola A, Batuk D, Saubanère M, Abakumov AM, Freeland JW, Cabana J, Li H, Doublet ML, Rousse G, Tarascon JM. Grimaud A, et al. Among authors: doublet ml. Chem Mater. 2018 Jun 12;30(11):3882-3893. doi: 10.1021/acs.chemmater.8b01372. Epub 2018 May 21. Chem Mater. 2018. PMID: 30057438 Free PMC article.

10

Unveiling Pseudocapacitive Charge Storage Behavior in FeWO₄ Electrode Material by Operando X-Ray Absorption Spectroscopy.

Goubard-Bretesché N, Crosnier O, Douard C, Iadecola A, Retoux R, Payen C, Doublet ML, Kisu K, Iwama E, Naoi K, Favier F, Brousse T. Goubard-Bretesché N, et al. Among authors: doublet ml. Small. 2020 Aug;16(33):e2002855. doi: 10.1002/smll.202002855. Epub 2020 Jul 12. Small. 2020. PMID: 32656960

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