Author Kroes, Geert-Jan
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2013 | Journal Article
Adiabatic Energy Loss in Hyperthermal H Atom Collisions with Cu and Au: A Basis for Testing the Importance of Nonadiabatic Energy Loss
Pavanello, M.; Auerbach, D. J.; Wodtke, A. M.; Blanco-Rey, M.; Alducin, M. & Kroes, G.-J. (2013)
The Journal of Physical Chemistry Letters, 4(21) pp. 3735-3740. DOI: https://doi.org/10.1021/jz401955r
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2013 | Journal Article |
Toward Detection of Electron-Hole Pair Excitation in H-atom Collisions with Au(111): Adiabatic Molecular Dynamics with a Semi-Empirical Full-Dimensional Potential Energy Surface
Janke, S. M.; Pavanello, M.; Kroes, G.-J.; Auerbach, D. J.; Wodtke, A. M. & Kandratsenka, A. (2013)
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 227(9-11) pp. 1467-1490. DOI: https://doi.org/10.1524/zpch.2013.0411
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2014 | Journal Article
Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)
Kroes, G.-J.; Pavanello, M.; Blanco-Rey, M.; Alducin, M. & Auerbach, D. J. (2014)
The Journal of Chemical Physics, 141(5) art. 054705. DOI: https://doi.org/10.1063/1.4891483
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2017 | Journal Article |
Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N-2 + Ru(0001)
Shakouri, K.; Behler, J. ; Meyer, J. & Kroes, G.-J. (2017)
The Journal of Physical Chemistry Letters, 8(10) pp. 2131-2136. DOI: https://doi.org/10.1021/acs.jpclett.7b00784
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2018 | Journal Article |
Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N2 on Ru(0001).
Shakouri, K.; Behler, J.; Meyer, J. & Kroes, G.-J. (2018)
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 122(41) pp. 23470-23480. DOI: https://doi.org/10.1021/acs.jpcc.8b06729
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2019 | Journal Article |
Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N 2 from Ru(0001)
Spiering, P.; Shakouri, K.; Behler, J.; Kroes, G.-J. & Meyer, J. (2019)
The Journal of Physical Chemistry Letters, 10(11) pp. 2957-2962. DOI: https://doi.org/10.1021/acs.jpclett.9b00523
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2019 | Journal Article |
Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD 3 + Cu(111)
Gerrits, N.; Shakouri, K.; Behler, J. & Kroes, G.-J. (2019)
The Journal of Physical Chemistry Letters, 10(8) pp. 1763-1768. DOI: https://doi.org/10.1021/acs.jpclett.9b00560
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2020 | Journal Article
Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)
Gerrits, N.; Geweke, J.; Smeets, E. W. F.; Voss, J.; Wodtke, A. M. & Kroes, G.-J. (2020)
The Journal of Physical Chemistry C, 124(29) pp. 15944-15960. DOI: https://doi.org/10.1021/acs.jpcc.0c03756
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2021 | Journal Article
Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation
Gerrits, N.; Geweke, J.; Auerbach, D. J.; Beck, R. D. & Kroes, G.-J. (2021)
The Journal of Physical Chemistry Letters, 12(30) pp. 7252-7260. DOI: https://doi.org/10.1021/acs.jpclett.1c02093
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