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hal-01191751v1  Journal articles
Diana C TrancaAnna Wojtaszek-GurdakMaria ZiolekFrederik Tielens. Supported and inserted monomeric niobium oxide species on/in silica: a molecular picture
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (34), pp.22402-22411. ⟨10.1039/C5CP03450G⟩
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hal-01305461v1  Journal articles
Dominique BazinDavid PortehaultFrederik TielensJacques LivageChristian Bonhomme et al.  Urolithiasis: What can we learn from a Nature which dysfunctions?
Comptes Rendus Chimie, Institut de France Académie des Sciences, 2016, 19 (11-12), pp.1558-1564. ⟨10.1016/j.crci.2016.01.019⟩
hal-01361378v1  Journal articles
Frederik TielensM CalatayudR FrancoJm RecioJ Perez-Ramirez et al.  Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel
Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (2), pp.988-995. ⟨10.1021/jp0533751⟩
hal-01490433v1  Journal articles
Jarosław HandzlikRobert GrybosFrederik Tielens. Isolated Chromium(VI) Oxide Species Supported on Al-Modified Silica: A Molecular Description
Journal of Physical Chemistry C, American Chemical Society, 2016, 120 (31), pp.17594 - 17603. ⟨10.1021/acs.jpcc.6b05675⟩
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hal-01396670v1  Journal articles
Leonardo F. PeirettiPaola QuainoFrederik Tielens. Competition between Two High-Density Assemblies of Poly(phenyl)thiols on Au(111)
Journal of Physical Chemistry C, American Chemical Society, 2016, 120 (44), pp.25462 - 25472. ⟨10.1021/acs.jpcc.6b08977⟩
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hal-01251999v1  Journal articles
Mario Saavedra-TorresFrederik TielensJuan C. Santos. Dibenzyl disulfide adsorption on Cu(111) surface: a DFT study
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2016, 135, pp.7. ⟨10.1007/s00214-015-1763-y⟩
hal-00604807v1  Journal articles
Frederik TielensElizabeth Santos. AuS and SH Bond Formation/Breaking during the Formation of Alkanethiol SAMs on Au(111): A Theoretical Study
Journal of Physical Chemistry C, American Chemical Society, 2010, 114 (20), pp.9444-9452. ⟨10.1021/jp102036r⟩
hal-00604813v1  Journal articles
A. WojtaszekI. SobczakM. ZiolekFrederik Tielens. The Formation of Gold Clusters Supported on Mesoporous Silica Material Surfaces: A Molecular Picture
Journal of Physical Chemistry C, American Chemical Society, 2010, 114 (19), pp.9002-9007. ⟨10.1021/jp1012279⟩
hal-01361359v1  Conference papers
D. CostaFrederik TielensL. StievanoJ-F. Lambert. Glycine Interaction with Geminal and Vicinal Silanols
THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, 2009, Unknown, Unknown Region. pp.251-256
hal-01361364v1  Journal articles
A. WojtaszekI. SobczakM. ZiolekFrederik Tielens. Gold Grafted to Mesoporous Silica Surfaces, a Molecular Picture
Journal of Physical Chemistry C, American Chemical Society, 2009, 113 (31), pp.13855-13859. ⟨10.1021/jp9036815⟩