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G

Geert–Jan Kroes

Leiden University

56H-index
256Paper Count
1.4WCitation Count
Published Papers 123
Publication Date
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Limits of BOSS DFT: O2 + Al(111) Dynamics on a Screened Hybrid Van der Waals DFT Potential Energy Surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-03-01
err0
errOAAI
errvan Bree, R. A. B.; Kroes, G. J.
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Comment on Microcanonical treatment of HCl dissociative chemisorption on Au(111): Reactive dampening through inefficient translational energy coupling and an active surface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-24
err0
PREAI
errGerrits, N; Kroes, GJ
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errSave
Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errKroes, Geert-Jan; Meyer, Joerg
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errSave
O2 Dissociation on Cu(111) Dynamics on a Novel Screened Hybrid van der Waals DFT Potential Energy Surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-11-04
err2
errOAAI
errvan Bree, R. A. B.; Kroes, G. J.
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Scattering in extreme environments: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlexandrowicz, Gil; Babikov, Dmitri; Brouard, Mark; Butler, Alexander; Chadwick, Helen; Chandler, David W.; Farnik, Michal; Fingerhut, Jan; Guo, Hua; Gyori, Tibor; Haakansson, Christian T.; Harding, Dan J.; Heard, Dwayne; Heazlewood, Brianna R.; Heathcote, David; Hertl, Nils; Jambrina, Pablo G.; Kroes, Geert-Jan; Krohn, Olivia A.; Lane, Paul D.; Le Duc, Viet; Lewandowski, Heather J.; Loreau, Jerome; Mccrea, Max; Mckendrick, Kenneth G.; Meyer, Jennifer; Moon, Daniel R.; Mullin, Amy S.; Nathanson, Gilbert M.; Neumark, Daniel M.; Ni, Kang-Kuen; Pal, Nitish; Pluharova, Eva; Reilly, Christopher; Robertson, Patrick; Sibener, Steven J.; Sparling, Chris; Sridurai, Vimala; Srivastav, Ajeet; Strutton, Matt; Suits, Arthur G.; Wagner, Joshua; Watson, Peter D.; Wester, Roland; Willitsch, Stefan; Wodtke, Alec. M.; Zhao, Bum Suk
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Dissociative chemisorption of O2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err4
PREAI
errvan Bree, Robert A. B.; Gerrits, Nick; Kroes, Geert-Jan
errShare
errSave
Scattering at condensed-phase surfaces: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAuerbach, Daniel J.; Babikov, Dmitri; Butler, Alexander; Chandler, David W.; Fingerhut, Jan; Guo, Hua; Harding, Dan J.; Heathcote, David; Hertl, Nils; Jiang, Bin; Kroes, Geert-Jan; Lane, Paul D.; Loreau, Jerome; Mackenzie, Stuart R.; Mckendrick, Kenneth G.; Moon, Daniel R.; Nathanson, Gilbert M.; Neumark, Daniel M.; Pandey, Rahul; Schatz, George C.; Sibener, Steven J.; Srivastav, Ajeet; Vallance, Claire; van Bree, Robert A. B.; Wagner, Joshua; Walker, Gilbert C.; Watson, Peter D.; Willitsch, Stefan; Wodtke, Alec M.; Zhao, Bum Suk
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Simulating Highly Activated Sticking of H2 on Al(110): Quantum versus Quasi-Classical Dynamics
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-03-14
err4
errOAAI
errTchakoua, Theophile; Powell, Andrew D.; Gerrits, Nick; Somers, Mark F.; Doblhoff-Dier, Katharina; Busnengo, Heriberto F.; Kroes, Geert-Jan
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SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-19
err24
errOAAI
errTchakoua, T.; Gerrits, N.; Smeets, E. W. F.; Kroes, G. -J.
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errSave
Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111) (vol 124, pg 15944, 2020)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-12-16
err0
PREAI
errGerrits, Nick; Geweke, Jan; Smeets, Egidius W. F.; Voss, Johannes; Wodtke, Alec M.; Kroes, Geert-Jan
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Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + Pt(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-04-21
err19
errOAAI
errSmeets, Egidius W. F.; Kroes, Geert-Jan
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Quantum Monte Carlo calculations on dissociative chemisorption of H2 + Al(110): Minimum barrier heights and their comparison to DFT values
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-08
err20
errOAAI
errPowell, Andrew D.; Kroes, Geert-Jan; Doblhoff-Dier, Katharina
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errSave
Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-06-24
err28
errOAAI
errGerrits, Nick; Geweke, Jan; Smeets, Egidius W. F.; Voss, Johannes; Wodtke, Alec M.; Kroes, Geert-Jan
errShare
errSave
Quantum Dynamics of Dissociative Chemisorption of H2 on the Stepped Cu(211) Surface (vol 123, pg 23049, 2019)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-12-16
err0
errOAAI
errSmeets, Egidius W. F.; Fuchsel, Gernot; Kroes, Geert-Jan
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Curious Mechanism of the Dissociative Chemisorption of Ammonia on Ru(0001)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-10-29
err13
errOAAI
errGerrits, Nick; Kroes, Geert-Jan
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errSave
Dynamical Study of the Dissociative Chemisorption of CHD3 on Pd(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-09-05
err13
errOAAI
errGerrits, Nick; Chadwick, Helen; Kroes, Geert-Jan
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errSave
Quantum Dynamics of Dissociative Chemisorption of H2 on the Stepped Cu(211) Surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-08-23
err25
errOAAI
errSmeets, Egidius W. F.; Fuechsel, Gernot; Kroes, Geert-Jan
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Toward a Specific Reaction Parameter Density Functional for H2 + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-07-30
err16
errOAAI
errTchakoua, T.; Smeets, E. W. F.; Somers, M.; Kroes, G-J
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errSave
CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-05-22
err15
errOAAI
errChadwick, Helen; Gutierrez-Gonzalez, Ana; Beck, Rainer D.; Kroes, Geert-Jan
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Assessment of Two Problems of Specific Reaction Parameter Density Functional Theory: Sticking and Diffraction of H2 on Pt(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-03-28
err11
errOAAI
errGhassemi, Elham N.; Somers, Mark F.; Kroes, Geert-Jan
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Research Directions

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Co-authors
Cooperation Journals
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Jens K. Nørskov
H-index: 221 · Papers: 892
G
George C. Schatz
H-index: 156 · Papers: 1.7K
M
Matthias Scheffler
H-index: 133 · Papers: 1.0K
E
E. F. van Dishoeck
H-index: 123 · Papers: 1.5K
J
Jan Rossmeisl
H-index: 106 · Papers: 510
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