| The silica–water interface: how the silanols determine the surface acidity and modulate the water properties M Sulpizi, MP Gaigeot, M Sprik Journal of chemical theory and computation 8 (3), 1037-1047, 2012 | 459 | 2012 |
| Redox potentials and acidity constants from density functional theory based molecular dynamics J Cheng, X Liu, J VandeVondele, M Sulpizi, M Sprik Accounts of Chemical Research 47 (12), 3522-3529, 2014 | 207 | 2014 |
| Oxide/water interfaces: how the surface chemistry modifies interfacial water properties MP Gaigeot, M Sprik, M Sulpizi Journal of Physics: Condensed Matter 24 (12), 124106, 2012 | 205 | 2012 |
| Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics J Cheng, M Sulpizi, M Sprik The Journal of chemical physics 131 (15), 2009 | 202 | 2009 |
| Vibrational sum frequency generation spectroscopy of the water liquid–vapor interface from density functional theory-based molecular dynamics simulations M Sulpizi, M Salanne, M Sprik, MP Gaigeot The journal of physical chemistry letters 4 (1), 83-87, 2013 | 176 | 2013 |
| The role of halide ions in the anisotropic growth of gold nanoparticles: a microscopic, atomistic perspective SK Meena, S Celiksoy, P Schäfer, A Henkel, C Sönnichsen, M Sulpizi Physical Chemistry Chemical Physics 18 (19), 13246-13254, 2016 | 157 | 2016 |
| Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementation M Sulpizi, M Sprik Physical Chemistry Chemical Physics 10 (34), 5238-5249, 2008 | 152 | 2008 |
| Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential IL Geada, H Ramezani-Dakhel, T Jamil, M Sulpizi, H Heinz Nature communications 9 (1), 716, 2018 | 141 | 2018 |
| The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode F Costanzo, M Sulpizi, RGD Valle, M Sprik The Journal of Chemical Physics 134 (24), 2011 | 140 | 2011 |
| Understanding the microscopic origin of gold nanoparticle anisotropic growth from molecular dynamics simulations SK Meena, M Sulpizi Langmuir 29 (48), 14954-14961, 2013 | 135 | 2013 |
| Water orientation and hydrogen-bond structure at the fluorite/water interface R Khatib, EHG Backus, M Bonn, MJ Perez-Haro, MP Gaigeot, M Sulpizi Scientific reports 6 (1), 24287, 2016 | 134 | 2016 |
| 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 | 117 | 2015 |
| Calculation of redox properties: Understanding short-and long-range effects in rubredoxin M Sulpizi, S Raugei, J VandeVondele, P Carloni, M Sprik The Journal of Physical Chemistry B 111 (15), 3969-3976, 2007 | 113 | 2007 |
| 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 | 107 | 2014 |
| Absolute acidity of clay edge sites from ab-initio simulations S Tazi, B Rotenberg, M Salanne, M Sprik, M Sulpizi Geochimica et Cosmochimica Acta 94, 1-11, 2012 | 98 | 2012 |
| Aqueous redox chemistry and the electronic band structure of liquid water C Adriaanse, J Cheng, V Chau, M Sulpizi, J VandeVondele, M Sprik The journal of physical chemistry letters 3 (23), 3411-3415, 2012 | 92 | 2012 |
| The puzzling issue of silica toxicity: are silanols bridging the gaps between surface states and pathogenicity? C Pavan, M Delle Piane, M Gullo, F Filippi, B Fubini, P Hoet, CJ Horwell, ... Particle and fibre toxicology 16, 1-10, 2019 | 85 | 2019 |
| Lipid carbonyl groups terminate the hydrogen bond network of membrane-bound water T Ohto, EHG Backus, CS Hsieh, M Sulpizi, M Bonn, Y Nagata The Journal of Physical Chemistry Letters 6 (22), 4499-4503, 2015 | 85 | 2015 |
| Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation M Mangold, L Rolland, F Costanzo, M Sprik, M Sulpizi, J Blumberger Journal of chemical theory and computation 7 (6), 1951-1961, 2011 | 84 | 2011 |
| Acidity constants from DFT-based molecular dynamics simulations M Sulpizi, M Sprik Journal of Physics: Condensed Matter 22 (28), 284116, 2010 | 82 | 2010 |
Marie-Pierre Gaigeot, ProfessorUniversité d'Evry val d'Essonne Paris, France在 univ-evry.fr 的电子邮件经过验证
