Benoit M - Search Results

1

The shapes of protons in hydrogen bonds depend on the bond length.

Benoit M, Marx D. Benoit M, et al. Chemphyschem. 2005 Sep 5;6(9):1738-41. doi: 10.1002/cphc.200400533. Chemphyschem. 2005. PMID: 16080216 No abstract available.

2

Reassigning hydrogen-bond centering in dense ice.

Benoit M, Romero AH, Marx D. Benoit M, et al. Phys Rev Lett. 2002 Sep 30;89(14):145501. doi: 10.1103/PhysRevLett.89.145501. Epub 2002 Sep 10. Phys Rev Lett. 2002. PMID: 12366053

3

First-principles calculation of the 17O NMR parameters of a calcium aluminosilicate glass.

Benoit M, Profeta M, Mauri F, Pickard CJ, Tuckerman ME. Benoit M, et al. J Phys Chem B. 2005 Apr 7;109(13):6052-60. doi: 10.1021/jp0492570. J Phys Chem B. 2005. PMID: 16851665

4

Adsorption energy of small molecules on core-shell Fe@Au nanoparticles: tuning by shell thickness.

Benoit M, Tarrat N, Morillo J. Benoit M, et al. Phys Chem Chem Phys. 2016 Apr 7;18(13):9112-23. doi: 10.1039/c5cp06258f. Phys Chem Chem Phys. 2016. PMID: 26971708

5

Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca(2+) -montmorillonite clay surfaces.

Belzunces B, Hoyau S, Benoit M, Tarrat N, Bessac F. Belzunces B, et al. Among authors: benoit m. J Comput Chem. 2017 Jan 30;38(3):133-143. doi: 10.1002/jcc.24530. Epub 2016 Nov 12. J Comput Chem. 2017. PMID: 27862038

6

Prediction of Co nanoparticle morphologies stabilized by ligands: towards a kinetic model.

Nguyen VB, Benoit M, Combe N, Tang H. Nguyen VB, et al. Among authors: benoit m. Phys Chem Chem Phys. 2017 Feb 8;19(6):4636-4647. doi: 10.1039/c6cp08153c. Phys Chem Chem Phys. 2017. PMID: 28124690

7

On Local Structure Equilibration of Ca²⁺ in Solution by Ab Initio Molecular Dynamics.

Moison H, Aufort J, Benoit M, Méheut M. Moison H, et al. Among authors: benoit m. J Phys Chem B. 2024 Apr 4;128(13):3167-3181. doi: 10.1021/acs.jpcb.3c07308. Epub 2024 Mar 25. J Phys Chem B. 2024. PMID: 38525554

8

First-principles calculation of the 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory.

Profeta M, Benoit M, Mauri F, Pickard CJ. Profeta M, et al. Among authors: benoit m. J Am Chem Soc. 2004 Oct 6;126(39):12628-35. doi: 10.1021/ja0490830. J Am Chem Soc. 2004. PMID: 15453796

9

Fully Crystalline Faceted Fe-Au Core-Shell Nanoparticles.

Langlois C, Benzo P, Arenal R, Benoit M, Nicolai J, Combe N, Ponchet A, Casanove MJ. Langlois C, et al. Among authors: benoit m. Nano Lett. 2015 Aug 12;15(8):5075-80. doi: 10.1021/acs.nanolett.5b02273. Epub 2015 Jul 9. Nano Lett. 2015. PMID: 26146846

10

The gold/ampicillin interface at the atomic scale.

Tarrat N, Benoit M, Giraud M, Ponchet A, Casanove MJ. Tarrat N, et al. Among authors: benoit m. Nanoscale. 2015 Sep 14;7(34):14515-24. doi: 10.1039/c5nr03318g. Nanoscale. 2015. PMID: 26260342

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