(Dis) Similarities of adsorption of diverse functional groups over alumina and hematite depending on the surface state S Blanck, C Martí, S Loehlé, SN Steinmann, C Michel The Journal of Chemical Physics 154 (8), 084701, 2021 | 11 | 2021 |
A density dependent dispersion correction SN Steinmann, C Corminboeuf Chimia 65 (4), 240-240, 2011 | 42 | 2011 |
A fast charge‐Dependent atom‐pairwise dispersion correction for DFTB3 R Petraglia, SN Steinmann, C Corminboeuf International Journal of Quantum Chemistry 115 (18), 1265-1272, 2015 | 17 | 2015 |
A generalized-gradient approximation exchange hole model for dispersion coefficients SN Steinmann, C Corminboeuf The Journal of chemical physics 134 (4), 044117, 2011 | 352 | 2011 |
A Joint DFT-kMC Study To Model Ethylene Carbonate Decomposition Reactions: SEI Formation, Growth, and Capacity Loss during Calendar Aging of Li-Metal Batteries M Bin Jassar, C Michel, S Abada, T De Bruin, S Tant, C Nieto-Draghi, ... ACS Applied Energy Materials 6 (13), 6934-6945, 2023 | 3 | 2023 |
A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers E Vignola, SN Steinmann, BD Vandegehuchte, D Curulla, M Stamatakis, ... The Journal of chemical physics 147 (5), 054106, 2017 | 44 | 2017 |
A ratiometric fluorescence sensor for caffeine N Luisier, A Ruggi, SN Steinmann, L Favre, N Gaeng, C Corminboeuf, ... Organic & biomolecular chemistry 10 (37), 7487-7490, 2012 | 25 | 2012 |
A system-dependent density-based dispersion correction SN Steinmann, C Corminboeuf Journal of chemical theory and computation 6 (7), 1990-2001, 2010 | 173 | 2010 |
Acetylene Adsorption on Pd–Ag Alloys: Evidence for Limited Island Formation and Strong Reverse Segregation from Monte Carlo Simulations E Vignola, SN Steinmann, K Le Mapihan, BD Vandegehuchte, D Curulla, ... The Journal of Physical Chemistry C 122 (27), 15456-15463, 2018 | 41 | 2018 |
Adhesion of lubricant on aluminium through adsorption of additive head-groups on γ-alumina: A DFT study S Blanck, S Loehlé, SN Steinmann, C Michel Tribology International 145, 106140, 2020 | 15 | 2020 |
An electrostatically embedded QM/MM scheme for electrified interfaces N Abidi, SN Steinmann ACS Applied Materials & Interfaces 15 (20), 25009-25017, 2023 | 5 | 2023 |
Assessing a first-principles model of an electrochemical interface by comparison with experiment SN Steinmann, P Sautet The Journal of Physical Chemistry C 120 (10), 5619-5623, 2016 | 103 | 2016 |
Atomistic modeling of electrocatalysis: Are we there yet? N Abidi, KRG Lim, ZW Seh, SN Steinmann Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (3), e1499, 2021 | 102 | 2021 |
Autonomous high-throughput computations in catalysis SN Steinmann, A Hermawan, MB Jassar, ZW Seh Chem Catalysis 2 (5), 940-956, 2022 | 17 | 2022 |
Benchmark tests and spin adaptation for the particle-particle random phase approximation Y Yang, H van Aggelen, SN Steinmann, D Peng, W Yang The Journal of chemical physics 139 (17), 174110, 2013 | 52 | 2013 |
Beyond single-crystal surfaces: The GAL21 water/metal force field P Clabaut, M Beisert, C Michel, SN Steinmann The Journal of Chemical Physics 157 (19), 194705, 2022 | 4 | 2022 |
Bonding analysis of planar hypercoordinate atoms via the generalized BLW‐LOL L Bomble, SN Steinmann, N Perez‐Peralta, G Merino, C Corminboeuf Journal of computational chemistry 34 (26), 2242-2248, 2013 | 11 | 2013 |
Branched alkanes have contrasting stabilities JF Gonthier, MD Wodrich, SN Steinmann, C Corminboeuf Organic letters 12 (13), 3070-3073, 2010 | 42 | 2010 |
C2H2-Induced Surface Restructuring of Pd–Ag Catalysts: Insights from Theoretical Modeling E Vignola, SN Steinmann, BD Vandegehuchte, D Curulla, P Sautet The Journal of Physical Chemistry C 120 (46), 26320-26327, 2016 | 34 | 2016 |
C6 Diacids from homocitric acid lactone using relay heterogeneous catalysis in water I Thapa, S Ntais, R Clément, EA Baranova, Q Gu, SN Steinmann, ... Catalysis Today 319, 191-196, 2019 | 1 | 2019 |