Charpentier T - Search Results

1

Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space.

Chaker Z, Chervy P, Boulard Y, Bressanelli S, Retailleau P, Paternostre M, Charpentier T. Chaker Z, et al. Among authors: charpentier t. J Phys Chem B. 2021 Aug 26;125(33):9454-9466. doi: 10.1021/acs.jpcb.1c04203. Epub 2021 Aug 12. J Phys Chem B. 2021. PMID: 34382396

2

Pseudopotentials including semicore states, with an application to barium, alpha -cerium, and thorium.

Charpentier T, Zérah G, Vast N. Charpentier T, et al. Phys Rev B Condens Matter. 1996 Jul 15;54(3):1427-1430. doi: 10.1103/physrevb.54.1427. Phys Rev B Condens Matter. 1996. PMID: 9985964 No abstract available.

3

Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies.

Charpentier T, Okhotnikov K, Novikov AN, Hennet L, Fischer HE, Neuville DR, Florian P. Charpentier T, et al. J Phys Chem B. 2018 Oct 18;122(41):9567-9583. doi: 10.1021/acs.jpcb.8b05721. Epub 2018 Oct 3. J Phys Chem B. 2018. PMID: 30222349

4

NMR shifts in aluminosilicate glasses via machine learning.

Chaker Z , Salanne M , Delaye JM , Charpentier T . Chaker Z , et al. Among authors: charpentier t. Phys Chem Chem Phys. 2019 Oct 9;21(39):21709-21725. doi: 10.1039/c9cp02803j. Phys Chem Chem Phys. 2019. PMID: 31389435

5

Influence of Magnesium on the Structure of Complex Multicomponent Silicates: Insights from Molecular Simulations and Neutron Scattering Experiments.

Bisbrouck N, Micoulaut M, Delaye JM, Bertani M, Charpentier T, Gin S, Angeli F. Bisbrouck N, et al. Among authors: charpentier t. J Phys Chem B. 2021 Oct 28;125(42):11761-11776. doi: 10.1021/acs.jpcb.1c06990. Epub 2021 Oct 19. J Phys Chem B. 2021. PMID: 34664506

6

Absence of lateral phase segregation in fatty acid-based catanionic mixtures.

Michina Y, Carrière D, Charpentier T, Brito R, Marques EF, Douliez JP, Zemb T. Michina Y, et al. Among authors: charpentier t. J Phys Chem B. 2010 Feb 11;114(5):1932-8. doi: 10.1021/jp910267v. J Phys Chem B. 2010. PMID: 20073496

7

Insight into the Crystalline Structure of ThF₄ with the Combined Use of Neutron Diffraction, ¹⁹F Magic-Angle Spinning-NMR, and Density Functional Theory Calculations.

Martel L, Capelli E, Body M, Klipfel M, Beneš O, Maksoud L, Raison PE, Suard E, Visscher L, Bessada C, Legein C, Charpentier T, Kovács A. Martel L, et al. Among authors: charpentier t. Inorg Chem. 2018 Dec 17;57(24):15350-15360. doi: 10.1021/acs.inorgchem.8b02683. Epub 2018 Nov 26. Inorg Chem. 2018. PMID: 30475605

8

Radiolysis of confined water: hydrogen production at a high dose rate.

Le Caër S, Rotureau P, Brunet F, Charpentier T, Blain G, Renault JP, Mialocq JC. Le Caër S, et al. Among authors: charpentier t. Chemphyschem. 2005 Dec 9;6(12):2585-96. doi: 10.1002/cphc.200500185. Chemphyschem. 2005. PMID: 16284996

9

New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study.

Forler N, Vasconcelos F, Cristol S, Paul JF, Montagne L, Charpentier T, Mauri F, Delevoye L. Forler N, et al. Among authors: charpentier t. Phys Chem Chem Phys. 2010 Aug 21;12(31):9053-62. doi: 10.1039/c003550e. Epub 2010 Jun 17. Phys Chem Chem Phys. 2010. PMID: 20559592

10

Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamics.

Carof A, Salanne M, Charpentier T, Rotenberg B. Carof A, et al. Among authors: charpentier t. J Phys Chem B. 2014 Nov 20;118(46):13252-7. doi: 10.1021/jp5105054. Epub 2014 Nov 5. J Phys Chem B. 2014. PMID: 25340813

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