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Frederik Tielens

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

6

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231

TOTAL CITATIONS

0

Scholarly Papers (6)

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1.

Understanding the Atomistic Behavior of Small Molecules (O2 and N2) on Monometallic M13 Nanoparticles

Number of pages: 26 Posted: 08 May 2024
José Luis Nuñez, Estefanía Colombo, Ionut Tranca, Dominique Bazin, Paola Quaino and Frederik Tielens
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Université Paris-Sud, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 70 (875,328)

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DFT, Nano, Transition metals, O2 bond activation, N2 bond activation

2.

Chemisorbed O2 and H2O-driven ROS generation on Ag13 cluster/SiO2 surface: a DFT study

Number of pages: 29 Posted: 14 Oct 2025
Eduardo de Oliveira Gomes, Ionut Tranca, Juan Andrés and Frederik Tielens
affiliation not provided to SSRN, affiliation not provided to SSRN, Jaume I University and affiliation not provided to SSRN
Downloads 66 (916,100)

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DFT calculations, Ag13 cluster /SiO2 surface, Free energy profiles, Generation of ROS

3.

Unravelling the Structural Origin of Vibrations in Crystalline Lithium Triborate, Lib3o5

Number of pages: 11 Posted: 18 May 2024
Eduardo O. Gomes, Juan Andrés, Frederik Tielens, Gerald Lelong, Dominique de Ligny and Benjamin Moulton
affiliation not provided to SSRN, Jaume I University, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Alfred University
Downloads 48 (1,097,529)

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Raman, DFT, Triborate

4.

Advanced Spectroscopic Characterization of Calcium Carbonate Polymorphs: Ab Initio Dynamic Approaches and Experimental Raman

Number of pages: 27 Posted: 24 Dec 2024
Fileto Rodriguez, Robin Francotte, Beata Taudul, Jianing Wang, Ionut Tranca, Diane Sorgeloos, Enrique Lozano Diz, Monica Calatayud and Frederik Tielens
affiliation not provided to SSRN, affiliation not provided to SSRN, Université Paris Est Créteil - Sorbonne Université, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Université Paris Est Créteil - Sorbonne Université and affiliation not provided to SSRN
Downloads 23 (1,411,822)

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IR, Raman, AIMD, CaCO3, polymorphism, dft

5.

Theoretical and experimental investigation of the preferential site occupancy of titanium and its effects on the structural, electronic, and magnetic properties of BaFe12-xTixO​19

Number of pages: 16 Posted: 26 Mar 2026
Victor Hugo da Silva e Silva, P. C. Das-Chagas, J.R. Fernández-Gamboa, Frederik Tielens, Ramón Peña-Garcia, Y. Leyet and F. Guerrero
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 19 (1,481,165)

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Barium hexaferrite, Ti-doped, DFT, Site preference, Exchange integrals, Magnetocrystalline anisotropy

6.

Trends in the Raman Spectra of Silica Prenucleation Clusters Revealed Through Experiments and DFT

Number of pages: 22 Posted: 22 May 2026
Fileto Rodriguez, Ionut Tranca, Pablo Beato, Monica Calatayud and Frederik Tielens
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Sorbonne University and affiliation not provided to SSRN
Downloads 5 (1,575,921)

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DFT, Raman spectroscopy, nucleation, silica-based materials