| Implicit self-consistent electrolyte model in plane-wave density-functional theory K Mathew, VSC Kolluru, S Mula, SN Steinmann, RG Hennig The Journal of Chemical Physics 151 (23), 234101, 2019 | 892 | 2019 |
| Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution Y Yu, SY Huang, Y Li, SN Steinmann, W Yang, L Cao Nano letters 14 (2), 553-558, 2014 | 803 | 2014 |
| Comprehensive benchmarking of a density-dependent dispersion correction SN Steinmann, C Corminboeuf Journal of Chemical Theory and Computation 7 (11), 3567-3577, 2011 | 503 | 2011 |
| A generalized-gradient approximation exchange hole model for dispersion coefficients SN Steinmann, C Corminboeuf The Journal of chemical physics 134 (4), 044117, 2011 | 370 | 2011 |
| Molecular adsorption at Pt (111). How accurate are DFT functionals? S Gautier, SN Steinmann, C Michel, P Fleurat-Lessard, P Sautet Physical Chemistry Chemical Physics 17 (43), 28921-28930, 2015 | 276 | 2015 |
| Theory-guided materials design: two-dimensional MXenes in electro-and photocatalysis AD Handoko, SN Steinmann, ZW Seh Nanoscale Horizons 4 (4), 809-827, 2019 | 240 | 2019 |
| Why are the interaction energies of charge-transfer complexes challenging for DFT? SN Steinmann, C Piemontesi, A Delachat, C Corminboeuf Journal of chemical theory and computation 8 (5), 1629-1640, 2012 | 200 | 2012 |
| A system-dependent density-based dispersion correction SN Steinmann, C Corminboeuf Journal of chemical theory and computation 6 (7), 1990-2001, 2010 | 179 | 2010 |
| Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why … EA Monyoncho, SN Steinmann, C Michel, EA Baranova, TK Woo, ... ACS Catalysis 6 (8), 4894-4906, 2016 | 149 | 2016 |
| Quantification of “fuzzy” chemical concepts: a computational perspective JF Gonthier, SN Steinmann, MD Wodrich, C Corminboeuf Chemical Society Reviews 41 (13), 4671-4687, 2012 | 139 | 2012 |
| How do electron localization functions describe π-electron delocalization? SN Steinmann, Y Mo, C Corminboeuf Physical Chemistry Chemical Physics 13 (46), 20584-20592, 2011 | 134 | 2011 |
| Impacts of electrode potentials and solvents on the electroreduction of CO 2: a comparison of theoretical approaches SN Steinmann, C Michel, R Schwiedernoch, P Sautet Physical Chemistry Chemical Physics 17 (21), 13949-13963, 2015 | 123 | 2015 |
| Relationship between carbon nitride structure and exciton binding energies: A DFT perspective S Melissen, T Le Bahers, SN Steinmann, P Sautet The Journal of Physical Chemistry C 119 (45), 25188-25196, 2015 | 120 | 2015 |
| Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models SN Steinmann, P Sautet, C Michel Physical Chemistry Chemical Physics 18 (46), 31850-31861, 2016 | 115 | 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 | 113 | 2021 |
| 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 | 110 | 2016 |
| Hierarchically structured microfibers of “single stack” perylene bisimide and quaterthiophene nanowires R Marty, R Szilluweit, A Sánchez-Ferrer, S Bolisetty, J Adamcik, ... ACS nano 7 (10), 8498-8508, 2013 | 98 | 2013 |
| Unified inter-and intramolecular dispersion correction formula for generalized gradient approximation density functional theory SN Steinmann, G Csonka, C Corminboeuf Journal of chemical theory and computation 5 (11), 2950-2958, 2009 | 98 | 2009 |
| Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111) P Wang, SN Steinmann, G Fu, C Michel, P Sautet ACS Catalysis 7 (3), 1955-1959, 2017 | 86 | 2017 |
| π-Depletion as a criterion to predict π-stacking ability JF Gonthier, SN Steinmann, L Roch, A Ruggi, N Luisier, K Severin, ... Chemical Communications 48 (74), 9239-9241, 2012 | 86 | 2012 |
Carine MICHELCNRS, ENS de Lyon, Laboratoire de Chimie UMR 5182Verified email at ens-lyon.fr