Leyssale JM - Search Results

1

Texture, Nanotexture, and Structure of Carbon Nanotube-Supported Carbon Cones.

Paredes G, Wang R, Puech P, Seine G, Leyssale JM, Arenal R, Masseboeuf A, Piazza F, Monthioux M. Paredes G, et al. Among authors: leyssale jm. ACS Nano. 2022 Jun 28;16(6):9287-9296. doi: 10.1021/acsnano.2c01825. Epub 2022 Jun 13. ACS Nano. 2022. PMID: 35695474

2

Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations.

Obliger A, Valdenaire PL, Capit N, Ulm FJ, Pellenq RJ, Leyssale JM. Obliger A, et al. Among authors: leyssale jm. Langmuir. 2018 Nov 13;34(45):13766-13780. doi: 10.1021/acs.langmuir.8b02534. Epub 2018 Oct 31. Langmuir. 2018. PMID: 30351957

3

Molecular Simulation of Argon Adsorption and Diffusion in a Microporous Carbon with Poroelastic Couplings.

Potier K, Ariskina K, Obliger A, Leyssale JM. Potier K, et al. Among authors: leyssale jm. Langmuir. 2023 Jul 11;39(27):9384-9395. doi: 10.1021/acs.langmuir.3c00865. Epub 2023 Jun 26. Langmuir. 2023. PMID: 37364167

4

From cellulose to kerogen: molecular simulation of a geological process.

Atmani L, Bichara C, Pellenq RJ, Van Damme H, van Duin ACT, Raza Z, Truflandier LA, Obliger A, Kralert PG, Ulm FJ, Leyssale JM. Atmani L, et al. Among authors: leyssale jm. Chem Sci. 2017 Dec 1;8(12):8325-8335. doi: 10.1039/c7sc03466k. Epub 2017 Oct 10. Chem Sci. 2017. PMID: 29619179 Free PMC article.

5

Methane Diffusion in a Flexible Kerogen Matrix.

Obliger A, Valdenaire PL, Ulm FJ, Pellenq RJ, Leyssale JM. Obliger A, et al. Among authors: leyssale jm. J Phys Chem B. 2019 Jul 5;123(26):5635-5640. doi: 10.1021/acs.jpcb.9b03266. Epub 2019 Jun 19. J Phys Chem B. 2019. PMID: 31244104

6

Timescale prediction of complex multi-barrier pathways using flux sampling molecular dynamics and 1D kinetic integration: Application to cellulose dehydration.

Valdenaire PL, Pellenq RJM, Ulm FJ, van Duin ACT, Leyssale JM. Valdenaire PL, et al. Among authors: leyssale jm. J Chem Phys. 2020 Jan 14;152(2):024123. doi: 10.1063/1.5126391. J Chem Phys. 2020. PMID: 31941333

7

Hit and miss of classical nucleation theory as revealed by a molecular simulation study of crystal nucleation in supercooled sulfur hexafluoride.

Leyssale JM, Delhommelle J, Millot C. Leyssale JM, et al. J Chem Phys. 2007 Jul 28;127(4):044504. doi: 10.1063/1.2753147. J Chem Phys. 2007. PMID: 17672704

8

Theoretical study of the decomposition of BCl3 induced by a H radical.

Reinisch G, Leyssale JM, Vignoles GL. Reinisch G, et al. Among authors: leyssale jm. J Phys Chem A. 2011 May 12;115(18):4786-97. doi: 10.1021/jp201035g. Epub 2011 Apr 14. J Phys Chem A. 2011. PMID: 21491857

9

Reaction mechanism for the thermal decomposition of BCl3/CH4/H2 gas mixtures.

Reinisch G, Vignoles GL, Leyssale JM. Reinisch G, et al. Among authors: leyssale jm. J Phys Chem A. 2011 Oct 27;115(42):11579-88. doi: 10.1021/jp2039114. Epub 2011 Oct 3. J Phys Chem A. 2011. PMID: 21913687

10

The self-referential method combined with thermodynamic integration.

Sweatman MB, Atamas AA, Leyssale JM. Sweatman MB, et al. Among authors: leyssale jm. J Chem Phys. 2008 Feb 14;128(6):064102. doi: 10.1063/1.2839881. J Chem Phys. 2008. PMID: 18282023 Free article.

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