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Stephan Steinmann
Stephan Steinmann
在 ens-lyon.fr 的电子邮件经过验证 - 首页
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引用次数
年份
(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
112021
A density dependent dispersion correction
SN Steinmann, C Corminboeuf
Chimia 65 (4), 240-240, 2011
422011
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
172015
A generalized-gradient approximation exchange hole model for dispersion coefficients
SN Steinmann, C Corminboeuf
The Journal of chemical physics 134 (4), 044117, 2011
3522011
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
32023
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
442017
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
252012
A system-dependent density-based dispersion correction
SN Steinmann, C Corminboeuf
Journal of chemical theory and computation 6 (7), 1990-2001, 2010
1732010
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
412018
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
152020
An electrostatically embedded QM/MM scheme for electrified interfaces
N Abidi, SN Steinmann
ACS Applied Materials & Interfaces 15 (20), 25009-25017, 2023
52023
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
1032016
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
1022021
Autonomous high-throughput computations in catalysis
SN Steinmann, A Hermawan, MB Jassar, ZW Seh
Chem Catalysis 2 (5), 940-956, 2022
172022
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
522013
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
42022
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
112013
Branched alkanes have contrasting stabilities
JF Gonthier, MD Wodrich, SN Steinmann, C Corminboeuf
Organic letters 12 (13), 3070-3073, 2010
422010
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
342016
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
12019
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