Clavaguéra C - Search Results

1

Probing the structural properties of the water solvation shell around gold nanoparticles: A computational study.

Tandiana R, Brun E, Sicard-Roselli C, Domin D, Van-Oanh NT, Clavaguéra C. Tandiana R, et al. Among authors: clavaguera c. J Chem Phys. 2021 Jan 28;154(4):044706. doi: 10.1063/5.0037551. J Chem Phys. 2021. PMID: 33514087

2

Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence-Bond Modeling.

Thaunay F, Calvo F, Nicol E, Ohanessian G, Clavaguéra C. Thaunay F, et al. Among authors: clavaguera c. Chemphyschem. 2019 Mar 18;20(6):803-814. doi: 10.1002/cphc.201800947. Epub 2019 Feb 27. Chemphyschem. 2019. PMID: 30695125

3

Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches.

Le Barbu-Debus K , Bowles J , Jähnigen S , Clavaguéra C , Calvo F , Vuilleumier R , Zehnacker A . Le Barbu-Debus K , et al. Among authors: clavaguera c. Phys Chem Chem Phys. 2020 Nov 25;22(45):26047-26068. doi: 10.1039/d0cp03869e. Phys Chem Chem Phys. 2020. PMID: 33169765

4

Manifolds of low energy structures for a magic number of hydrated sulfate: SO₄^2-(H₂O)₂₄.

Clavaguéra C, Thaunay F, Ohanessian G. Clavaguéra C, et al. Phys Chem Chem Phys. 2021 Nov 3;23(42):24428-24438. doi: 10.1039/d1cp03123f. Phys Chem Chem Phys. 2021. PMID: 34693943

5

In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle.

Tandiana R, Sicard-Roselli C, Van-Oanh NT, Steinmann S, Clavaguéra C. Tandiana R, et al. Among authors: clavaguera c. Phys Chem Chem Phys. 2022 Oct 27;24(41):25327-25336. doi: 10.1039/d2cp02654f. Phys Chem Chem Phys. 2022. PMID: 36226681

6

Influence of the environment on the infrared spectrum of alanine: An effective mode analysis.

Bowles J, Jähnigen S, Vuilleumier R, Calvo F, Clavaguéra C, Agostini F. Bowles J, et al. Among authors: clavaguera c. J Chem Phys. 2023 Mar 7;158(9):094305. doi: 10.1063/5.0135608. J Chem Phys. 2023. PMID: 36889973

7

Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory.

Tandiana R, Omar KA, Luppi E, Cailliez F, Van-Oanh NT, Clavaguéra C, de la Lande A. Tandiana R, et al. Among authors: clavaguera c. J Chem Theory Comput. 2023 Nov 14;19(21):7740-7752. doi: 10.1021/acs.jctc.3c00656. Epub 2023 Oct 24. J Chem Theory Comput. 2023. PMID: 37874960

8

Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer.

Clavaguéra C, Calvo F, Dognon JP. Clavaguéra C, et al. J Chem Phys. 2006 Feb 21;124(7):74505. doi: 10.1063/1.2167647. J Chem Phys. 2006. PMID: 16497055

9

Ultrasoft pseudopotentials for lanthanide solvation complexes: core or valence character of the 4f electrons.

Pollet R, Clavaguéra C, Dognon JP. Pollet R, et al. Among authors: clavaguera c. J Chem Phys. 2006 Apr 28;124(16):164103. doi: 10.1063/1.2191498. J Chem Phys. 2006. PMID: 16674125 Free article.

10

Structural, energetic and dynamical properties of sodiated oligoglycines: relevance of a polarizable force field.

Semrouni D, Ohanessian G, Clavaguéra C. Semrouni D, et al. Among authors: clavaguera c. Phys Chem Chem Phys. 2010 Apr 14;12(14):3450-62. doi: 10.1039/b924317h. Phys Chem Chem Phys. 2010. PMID: 20355287

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

57 results

Search Page

Filters