K. Goloviznina, J.N. Canongia Lopes, M. Costa Gomes, A.A.H. Pádua, A Transferable, Polarisable Force Field for Ionic Liquids, J. Chem. Theory Comput. 15 (2019) 5858−5871, DOI: 10.1021/acs.jctc.9b00689
Thapa, Indira; Ntais, Spyridon; Clément, Roxanne; Baranova, Elena A; Gu, Qingyi; Steinmann, Stephan N; Michel, Carine; Lau, M Kit; Hass, Cathy S; Millis, Jim, C6 Diacids from homocitric acid lactone using relay heterogeneous catalysis in water,Catalysis Today,319,,191-196,2019,Elsevier
Schweitzer, Benjamin; Steinmann, Stephan N; Michel, Carine, Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H 2 O/Pt (111) interface,Physical Chemistry Chemical Physics,21,10,5368-5377,2019,Royal Society of Chemistry
Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N, Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions,Journal of chemical theory and computation,15,1,265-275,2018,American Chemical Society
Réocreux, Romain; Michel, Carine; Fleurat-Lessard, Paul; Sautet, Philippe; Steinmann, Stephan N, Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface,The Journal of Physical Chemistry C,123,47,28828-28835,2019,ACS Publications
Hajar, Yasmine M; Treps, Laureline; Michel, Carine; Baranova, Elena A; Steinmann, Stephan N, Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide,Catalysis Science & Technology,9,21,5915-5926,2019,Royal Society of Chemistry
Mom, Rik Valentijn; Melissen, Sigismund TAG; Sautet, Philippe; Frenken, Joost WM; Steinmann, Stephan N; Groot, Irene MN, The Pressure Gap for Thiols: Methanethiol Self-Assembly on Au (111) from Vacuum to 1 bar,The Journal of Physical Chemistry ,2019,ACS Publications
Blanck, Sarah; Loehlé, Sophie; Steinmann, Stephan N; Michel, Carine, Adhesion of lubricant on aluminium through adsorption of additive head-groups on γ-alumina: A DFT study,Tribology International,106140,2019,Elsevier