These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
197 related articles for article (PubMed ID: 27284787)
1. Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction. Nattino F; Migliorini D; Kroes GJ; Dombrowski E; High EA; Killelea DR; Utz AL J Phys Chem Lett; 2016 Jul; 7(13):2402-6. PubMed ID: 27284787 [TBL] [Abstract][Full Text] [Related]
2. Computational approaches to dissociative chemisorption on metals: towards chemical accuracy. Kroes GJ Phys Chem Chem Phys; 2021 Apr; 23(15):8962-9048. PubMed ID: 33885053 [TBL] [Abstract][Full Text] [Related]
3. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces. Kroes GJ; Díaz C Chem Soc Rev; 2016 Jun; 45(13):3658-700. PubMed ID: 26235525 [TBL] [Abstract][Full Text] [Related]
4. Towards chemically accurate simulation of molecule-surface reactions. Kroes GJ Phys Chem Chem Phys; 2012 Nov; 14(43):14966-81. PubMed ID: 23037951 [TBL] [Abstract][Full Text] [Related]
6. Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111). Boereboom JM; Wijzenbroek M; Somers MF; Kroes GJ J Chem Phys; 2013 Dec; 139(24):244707. PubMed ID: 24387388 [TBL] [Abstract][Full Text] [Related]
7. Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu(111). Díaz C; Pijper E; Olsen RA; Busnengo HF; Auerbach DJ; Kroes GJ Science; 2009 Nov; 326(5954):832-4. PubMed ID: 19892978 [TBL] [Abstract][Full Text] [Related]
8. Test of the Transferability of the Specific Reaction Parameter Functional for H Nour Ghassemi E; Somers M; Kroes GJ J Phys Chem C Nanomater Interfaces; 2018 Oct; 122(40):22939-22952. PubMed ID: 30344838 [TBL] [Abstract][Full Text] [Related]
9. Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas-Surface Reaction. Nattino F; Ueta H; Chadwick H; van Reijzen ME; Beck RD; Jackson B; van Hemert MC; Kroes GJ J Phys Chem Lett; 2014 Apr; 5(8):1294-9. PubMed ID: 26269970 [TBL] [Abstract][Full Text] [Related]
10. Transferability of the SRP32-vdW specific reaction parameter functional to CHD Chadwick H; Gutiérrez-González A; Beck RD; Kroes GJ J Chem Phys; 2019 Mar; 150(12):124702. PubMed ID: 30927879 [TBL] [Abstract][Full Text] [Related]
12. Toward a Database of Chemically Accurate Barrier Heights for Reactions of Molecules with Metal Surfaces. Kroes GJ J Phys Chem Lett; 2015 Oct; 6(20):4106-14. PubMed ID: 26722785 [TBL] [Abstract][Full Text] [Related]
14. Dynamical Study of the Dissociative Chemisorption of CHD Gerrits N; Chadwick H; Kroes GJ J Phys Chem C Nanomater Interfaces; 2019 Oct; 123(39):24013-24023. PubMed ID: 31602282 [TBL] [Abstract][Full Text] [Related]
15. Assessment of Two Problems of Specific Reaction Parameter Density Functional Theory: Sticking and Diffraction of H Ghassemi EN; Somers MF; Kroes GJ J Phys Chem C Nanomater Interfaces; 2019 Apr; 123(16):10406-10418. PubMed ID: 31049122 [TBL] [Abstract][Full Text] [Related]
16. Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD Gerrits N; Shakouri K; Behler J; Kroes GJ J Phys Chem Lett; 2019 Apr; 10(8):1763-1768. PubMed ID: 30922058 [TBL] [Abstract][Full Text] [Related]
17. An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001). Wijzenbroek M; Kroes GJ Phys Chem Chem Phys; 2016 Aug; 18(31):21190-201. PubMed ID: 27140678 [TBL] [Abstract][Full Text] [Related]
18. Transferability of the Specific Reaction Parameter Density Functional for H Ghassemi EN; Smeets EWF; Somers MF; Kroes GJ; Groot IMN; Juurlink LBF; Füchsel G J Phys Chem C Nanomater Interfaces; 2019 Feb; 123(5):2973-2986. PubMed ID: 30792827 [TBL] [Abstract][Full Text] [Related]
19. An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation. Gerrits N; Kroes GJ J Chem Phys; 2019 Jan; 150(2):024706. PubMed ID: 30646727 [TBL] [Abstract][Full Text] [Related]
20. CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion. Shen X; Zhang Z; Zhang DH Phys Chem Chem Phys; 2015 Oct; 17(38):25499-504. PubMed ID: 26364792 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]