286 related articles for article (PubMed ID: 26258988)
1. Performance of a Non-Local van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces.
Wijzenbroek M; Klein DM; Smits B; Somers MF; Kroes GJ
J Phys Chem A; 2015 Dec; 119(50):12146-58. PubMed ID: 26258988
[TBL] [Abstract][Full Text] [Related]
2. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001).
Wijzenbroek M; Kroes GJ
J Chem Phys; 2014 Feb; 140(8):084702. PubMed ID: 24588186
[TBL] [Abstract][Full Text] [Related]
3. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.
Martin-Gondre L; Juaristi JI; Blanco-Rey M; Díez Muiño R; Alducin M
J Chem Phys; 2015 Feb; 142(7):074704. PubMed ID: 25702021
[TBL] [Abstract][Full Text] [Related]
4. Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H
Smeets EWF; Voss J; Kroes GJ
J Phys Chem A; 2019 Jun; 123(25):5395-5406. PubMed ID: 31149824
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. van der Waals exchange-correlation functionals over bulk and surface properties of transition metals.
Avelar J; Bruix A; Garza J; Vargas R
J Phys Condens Matter; 2019 Aug; 31(31):315501. PubMed ID: 30978711
[TBL] [Abstract][Full Text] [Related]
7. Molecular adsorption at Pt(111). How accurate are DFT functionals?
Gautier S; Steinmann SN; Michel C; Fleurat-Lessard P; Sautet P
Phys Chem Chem Phys; 2015 Nov; 17(43):28921-30. PubMed ID: 26455444
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.
Hanke F; Dyer MS; Björk J; Persson M
J Phys Condens Matter; 2012 Oct; 24(42):424217. PubMed ID: 23031831
[TBL] [Abstract][Full Text] [Related]
10. Perspectives on van der Waals Density Functionals: The Case of TiS
Krogel JT; Yuk SF; Kent PRC; Cooper VR
J Phys Chem A; 2020 Nov; 124(47):9867-9876. PubMed ID: 33190498
[TBL] [Abstract][Full Text] [Related]
11. CO
Muttaqien F; Hamamoto Y; Hamada I; Inagaki K; Shiozawa Y; Mukai K; Koitaya T; Yoshimoto S; Yoshinobu J; Morikawa Y
J Chem Phys; 2017 Sep; 147(9):094702. PubMed ID: 28886627
[TBL] [Abstract][Full Text] [Related]
12. Diffractive and reactive scattering of H2 from Ru(0001): experimental and theoretical study.
Nieto P; Farías D; Miranda R; Luppi M; Baerends EJ; Somers MF; van der Niet MJ; Olsen RA; Kroes GJ
Phys Chem Chem Phys; 2011 May; 13(18):8583-97. PubMed ID: 21487588
[TBL] [Abstract][Full Text] [Related]
13. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.
Chen DL; Al-Saidi WA; Johnson JK
J Phys Condens Matter; 2012 Oct; 24(42):424211. PubMed ID: 23032730
[TBL] [Abstract][Full Text] [Related]
14. Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces.
Lee K; Berland K; Yoon M; Andersson S; Schröder E; Hyldgaard P; Lundqvist BI
J Phys Condens Matter; 2012 Oct; 24(42):424213. PubMed ID: 23032859
[TBL] [Abstract][Full Text] [Related]
15. van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces.
Dabaghmanesh S; Neyts EC; Partoens B
Phys Chem Chem Phys; 2016 Aug; 18(33):23139-46. PubMed ID: 27494541
[TBL] [Abstract][Full Text] [Related]
16. Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems.
Migliorini D; Nattino F; Kroes GJ
J Chem Phys; 2016 Feb; 144(8):084702. PubMed ID: 26931713
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals.
Zhang C; Wu J; Galli G; Gygi F
J Chem Theory Comput; 2011 Oct; 7(10):3054-61. PubMed ID: 26598149
[TBL] [Abstract][Full Text] [Related]
19. Designing new SRP density functionals including non-local vdW-DF2 correlation for H
Smeets EWF; Kroes GJ
Phys Chem Chem Phys; 2021 Apr; 23(13):7875-7901. PubMed ID: 33291129
[TBL] [Abstract][Full Text] [Related]
20. Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).
Kebede GG; Spångberg D; Mitev PD; Broqvist P; Hermansson K
J Chem Phys; 2017 Feb; 146(6):064703. PubMed ID: 28201901
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
