| Methane oxidation over PdO (101) revealed by first-principles kinetic modeling MV Bossche, H Gronbeck Journal of the American Chemical Society 137 (37), 12035-12044, 2015 | 76 | 2015 |
| Intrinsic ligand effect governing the catalytic activity of Pd oxide thin films NM Martin, M Van den Bossche, A Hellman, H Gronbeck, C Hakanoglu, ... Acs Catalysis 4 (10), 3330-3334, 2014 | 62 | 2014 |
| CO adsorption on clean and oxidized Pd (111) NM Martin, M Van den Bossche, H Gronbeck, C Hakanoglu, F Zhang, T Li, ... The Journal of Physical Chemistry C 118 (2), 1118-1128, 2014 | 56 | 2014 |
| Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt M Van den Bossche, E Skúlason, C Rose-Petruck, H Jónsson The Journal of Physical Chemistry C 123 (7), 4116-4124, 2019 | 27 | 2019 |
| Reversed Hysteresis during CO Oxidation over Pd75Ag25(100) VR Fernandes, MV Bossche, J Knudsen, MH Farstad, J Gustafson, ... ACS Catalysis 6 (7), 4154-4161, 2016 | 23 | 2016 |
| Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules M Van den Bossche, NM Martin, J Gustafson, C Hakanoglu, JF Weaver, ... The Journal of chemical physics 141 (3), 034706, 2014 | 21 | 2014 |
| Dissociative adsorption of hydrogen on PdO (101) studied by HRCLS and DFT NM Martin, M Van den Bossche, H Gronbeck, C Hakanoglu, J Gustafson, ... The Journal of Physical Chemistry C 117 (26), 13510-13519, 2013 | 20 | 2013 |
| Understanding the intrinsic surface reactivity of single-layer and multilayer PdO (101) on Pd (100) V Mehar, M Kim, M Shipilin, M Van den Bossche, J Gustafson, LR Merte, ... ACS Catalysis 8 (9), 8553-8567, 2018 | 19 | 2018 |
| Trends in adsorbate induced core level shifts V Nilsson, M Van den Bossche, A Hellman, H Grönbeck Surface Science 640, 59-64, 2015 | 19 | 2015 |
| DFTB-Assisted Global Structure Optimization of 13-and 55-Atom Late Transition Metal Clusters M Van den Bossche The Journal of Physical Chemistry A 123 (13), 3038-3045, 2019 | 18 | 2019 |
| Tight-binding approximation-enhanced global optimization M Van den Bossche, H Grönbeck, B Hammer Journal of chemical theory and computation 14 (5), 2797-2807, 2018 | 18 | 2018 |
| A Chemical View on X‐ray Photoelectron Spectroscopy: the ESCA Molecule and Surface‐to‐Bulk XPS Shifts FA Delesma, M Van den Bossche, H Grönbeck, P Calaminici, AM Köster, ... ChemPhysChem 19 (2), 169-174, 2018 | 14 | 2018 |
| Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics CR Florén, M Van den Bossche, D Creaser, H Grönbeck, PA Carlsson, ... Catalysis Science & Technology 8 (2), 508-520, 2018 | 11 | 2018 |
| Adsorbate Pairing on Oxide Surfaces: Influence on Reactivity and Dependence on Oxide, Adsorbate Pair, and Density Functional M Van den Bossche, H Grönbeck The Journal of Physical Chemistry C 121 (15), 8390-8398, 2017 | 9 | 2017 |
| Methane oxidation over palladium oxide: From electronic structure to catalytic conversion M van den Bossche Department of Applied Physics, Chalmers University of Technology, 2015 | 3 | 2015 |
| Addition to “Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt” M Van den Bossche, E Skúlason, C Rose-Petruck, H Jónsson The Journal of Physical Chemistry C 123 (25), 15875-15875, 2019 | 2 | 2019 |
| Understanding the structural diversity of freestanding Al 2 O 3 ultrathin films through a DFTB-aided genetic algorithm M Van den Bossche, C Noguera, J Goniakowski Nanoscale 12 (10), 6153-6163, 2020 | | 2020 |
| First principles kinetic modeling of methane oxidation over Pd and PdO M Jorgensen, M Van den Bossche, H Gronbeck ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Nanocluster structure deduced from AC-STEM images coupled to theoretical modelling K Sukuta, M Van den Bossche, A Pedersen, H Jónsson Наносистемы: физика, химия, математика 8 (6), 2017 | | 2017 |
| Importance of attractive pair interactions in reactions on metal oxide surfaces M Van den Bossche, B Abrahamsson, H Gronbeck ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
