Obserwuj
Frederik Tielens
Tytuł
Cytowane przez
Cytowane przez
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Ab initio study of the hydroxylated surface of amorphous silica: A representative model
F Tielens, C Gervais, JF Lambert, F Mauri, D Costa
Chemistry of Materials 20 (10), 3336-3344, 2008
2632008
AuS and SH bond formation/breaking during the formation of alkanethiol SAMs on Au (111): a theoretical study
F Tielens, E Santos
The Journal of Physical Chemistry C 114 (20), 9444-9452, 2010
1072010
DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface
D Costa, A Tougerti, F Tielens, C Gervais, L Stievano, JF Lambert
Physical Chemistry Chemical Physics 10 (42), 6360-6368, 2008
942008
Bimodal acidity at the amorphous silica/water interface
M Pfeiffer-Laplaud, D Costa, F Tielens, MP Gaigeot, M Sulpizi
The Journal of Physical Chemistry C 119 (49), 27354-27362, 2015
842015
Characterization of ω-functionalized undecanethiol mixed self-assembled monolayers on Au (111): a combined polarization modulation infrared reflection− absorption spectroscopy …
F Tielens, D Costa, V Humblot, CM Pradier
The Journal of Physical Chemistry C 112 (1), 182-190, 2008
792008
Characterization of supported vanadium oxide species on silica: a periodic DFT investigation
MM Islam, D Costa, M Calatayud, F Tielens
The Journal of Physical Chemistry C 113 (24), 10740-10746, 2009
782009
The amorphous silica–liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder
Á Cimas, F Tielens, M Sulpizi, MP Gaigeot, D Costa
Journal of Physics: Condensed Matter 26 (24), 244106, 2014
762014
Reactivity of gold nanoparticles towards N-heterocyclic carbenes
M Rodríguez-Castillo, D Laurencin, F Tielens, A van der Lee, S Clément, ...
Dalton Transactions 43 (16), 5978-5982, 2014
752014
Structure of monomeric chromium (VI) oxide species supported on silica: periodic and cluster DFT studies
J Handzlik, R Grybos, F Tielens
The Journal of Physical Chemistry C 117 (16), 8138-8149, 2013
752013
Periodic DFT Study of the Structural and Electronic Properties of Bulk CoAl2O4 Spinel
F Tielens, M Calatayud, R Franco, JM Recio, J Pérez-Ramírez, C Minot
The Journal of Physical Chemistry B 110 (2), 988-995, 2006
752006
Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity
D Costa, CM Pradier, F Tielens, L Savio
Surface Science Reports 70 (4), 449-553, 2015
722015
Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations
N Folliet, C Roiland, S Bégu, A Aubert, T Mineva, A Goursot, K Selvaraj, ...
Journal of the American Chemical Society 133 (42), 16815-16827, 2011
712011
A molecular picture of the adsorption of glycine in mesoporous silica through NMR experiments combined with DFT-D calculations
N Folliet, C Gervais, D Costa, G Laurent, F Babonneau, L Stievano, ...
The Journal of Physical Chemistry C 117 (8), 4104-4114, 2013
672013
Chromium oxide species supported on silica: a representative periodic DFT model
H Guesmi, F Tielens
The Journal of Physical Chemistry C 116 (1), 994-1001, 2012
632012
Cysteine-montmorillonite composites for heavy metal cation complexation: A combined experimental and theoretical study
K El Adraa, T Georgelin, JF Lambert, F Jaber, F Tielens, M Jaber
Chemical Engineering Journal 314, 406-417, 2017
622017
Lithium insertion and mobility in the TiO2-anatase/titanate structure: A periodic DFT study
F Tielens, M Calatayud, A Beltran, C Minot, J Andrés
Journal of Electroanalytical Chemistry 581 (2), 216-223, 2005
612005
Oxygen adsorption on gold nanofacets and model clusters
T Visart de Bocarmé, TD Chau, F Tielens, J Andrés, P Gaspard, ...
The Journal of chemical physics 125 (5), 054703, 2006
572006
Oxygen adsorption on gold nanofacets and model clusters
T Visart de Bocarmé, TD Chau, F Tielens, J Andrés, P Gaspard, ...
The Journal of chemical physics 125 (5), 054703, 2006
572006
DFT study of oxygen adsorption on modified nanostructured gold pyramids
F Tielens, J Andrés, M Van Brussel, C Buess-Hermann, P Geerlings
The Journal of Physical Chemistry B 109 (16), 7624-7630, 2005
522005
Reactivity of gas-phase, crystal and supported V2O5 systems studied using density functional theory based reactivity indices
M Calatayud, F Tielens, F De Proft
Chemical Physics Letters 456 (1-3), 59-63, 2008
492008
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