| 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 | 263 | 2008 |
| 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 | 107 | 2010 |
| 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 | 94 | 2008 |
| 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 | 84 | 2015 |
| 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 | 79 | 2008 |
| 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 | 78 | 2009 |
| 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 | 76 | 2014 |
| 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 | 75 | 2014 |
| 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 | 75 | 2013 |
| 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 | 75 | 2006 |
| 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 | 72 | 2015 |
| 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 | 71 | 2011 |
| 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 | 67 | 2013 |
| 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 | 63 | 2012 |
| 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 | 62 | 2017 |
| 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 | 61 | 2005 |
| 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 | 57 | 2006 |
| 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 | 57 | 2006 |
| 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 | 52 | 2005 |
| 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 | 49 | 2008 |
Monica Calatayud-AntoninoSorbonne UniversitéZweryfikowany adres z lct.jussieu.fr
