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.
4. 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]
5. Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional. Nattino F; Migliorini D; Bonfanti M; Kroes GJ J Chem Phys; 2016 Jan; 144(4):044702. PubMed ID: 26827223 [TBL] [Abstract][Full Text] [Related]
8. Direct or Precursor-Mediated? Mechanisms for Methane Dissociation on Pt(110)-(2 × 1) at Both Low and High Incidence Energies. Wei F; Lin S; Guo H JACS Au; 2023 Oct; 3(10):2835-2843. PubMed ID: 37885592 [TBL] [Abstract][Full Text] [Related]
9. Methane on a stepped surface: Dynamical insights on the dissociation of CHD Migliorini D; Chadwick H; Kroes GJ J Chem Phys; 2018 Sep; 149(9):094701. PubMed ID: 30195319 [TBL] [Abstract][Full Text] [Related]
10. 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]
11. 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]
12. The molecular dynamics of adsorption and dissociation of O2 on Pt(553). Jacobse L; den Dunnen A; Juurlink LB J Chem Phys; 2015 Jul; 143(1):014703. PubMed ID: 26156488 [TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. 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]
16. 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]