227 related articles for article (PubMed ID: 27232051)
21. Improved description of soft layered materials with van der Waals density functional theory.
Graziano G; Klimeš J; Fernandez-Alonso F; Michaelides A
J Phys Condens Matter; 2012 Oct; 24(42):424216. PubMed ID: 23032994
[TBL] [Abstract][Full Text] [Related]
22. 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]
23. Thermodynamic study of benzene and hydrogen coadsorption on Pd(111).
Canduela-Rodriguez G; Sabbe MK; Reyniers MF; Joly JF; Marin GB
Phys Chem Chem Phys; 2014 Nov; 16(43):23754-68. PubMed ID: 25271890
[TBL] [Abstract][Full Text] [Related]
24. Assessment of van der Waals inclusive density functional theory methods for adsorption and selective dehydrogenation of formic acid on Pt(111) surface.
Yuan D; Liao H; Hu W
Phys Chem Chem Phys; 2019 Oct; 21(37):21049-21056. PubMed ID: 31528914
[TBL] [Abstract][Full Text] [Related]
25. Adsorption of CO2, N2, and CH4 in Cs-exchanged chabazite: a combination of van der Waals density functional theory calculations and experiment study.
Shang J; Li G; Singh R; Xiao P; Danaci D; Liu JZ; Webley PA
J Chem Phys; 2014 Feb; 140(8):084705. PubMed ID: 24588189
[TBL] [Abstract][Full Text] [Related]
26. 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]
27. 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]
28. Simple benzene derivatives adsorption on defective single-walled carbon nanotubes: a first-principles van der Waals density functional study.
Ganji MD; Mohseni M; Bakhshandeh A
J Mol Model; 2013 Mar; 19(3):1059-67. PubMed ID: 23114431
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. Reinvestigating oxygen adsorption on Ag(111) by using strongly constrained and appropriately normed semi-local density functional with the revised Vydrov van Voorhis van der Waals force correction.
Hinsch JJ; Liu J; Wang Y
J Chem Phys; 2021 Dec; 155(23):234704. PubMed ID: 34937376
[TBL] [Abstract][Full Text] [Related]
31. van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions.
Berland K; Arter CA; Cooper VR; Lee K; Lundqvist BI; Schröder E; Thonhauser T; Hyldgaard P
J Chem Phys; 2014 May; 140(18):18A539. PubMed ID: 24832347
[TBL] [Abstract][Full Text] [Related]
32. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
33. London Dispersion Corrections to Density Functional Theory for Transition Metals Based on Fitting to Experimental Temperature-Programmed Desorption of Benzene Monolayers.
Yang H; Cheng T; Goddard WA
J Phys Chem Lett; 2021 Jan; 12(1):73-79. PubMed ID: 33306392
[TBL] [Abstract][Full Text] [Related]
34. Electronic structure and van der Waals interactions in the stability and mobility of point defects in semiconductors.
Gao W; Tkatchenko A
Phys Rev Lett; 2013 Jul; 111(4):045501. PubMed ID: 23931381
[TBL] [Abstract][Full Text] [Related]
35. Layer breathing and shear modes in multilayer graphene: a DFT-vdW study.
Del Grande RR; Menezes MG; Capaz RB
J Phys Condens Matter; 2019 Jul; 31(29):295301. PubMed ID: 30986776
[TBL] [Abstract][Full Text] [Related]
36. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals.
Pham TH; Ramprasad R; Nguyen HV
J Chem Phys; 2016 Jun; 144(21):214905. PubMed ID: 27276968
[TBL] [Abstract][Full Text] [Related]
37. Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces.
Bedolla PO; Feldbauer G; Wolloch M; Eder SJ; Dörr N; Mohn P; Redinger J; Vernes A
J Phys Chem C Nanomater Interfaces; 2014 Aug; 118(31):17608-17615. PubMed ID: 25126156
[TBL] [Abstract][Full Text] [Related]
38. On the tautomerisation of porphycene on copper (111): Finding the subtle balance between van der Waals interactions and hybridisation.
Novko D; Tremblay JC; Blanco-Rey M
J Chem Phys; 2016 Dec; 145(24):244701. PubMed ID: 28010073
[TBL] [Abstract][Full Text] [Related]
39. The role of van der Waals forces in water adsorption on metals.
Carrasco J; Klimeš J; Michaelides A
J Chem Phys; 2013 Jan; 138(2):024708. PubMed ID: 23320714
[TBL] [Abstract][Full Text] [Related]
40. Structural, elastic, and vibrational properties of layered titanium dichalcogenides: a van der Waals density functional study.
Ding H; Xu B
J Chem Phys; 2012 Dec; 137(22):224509. PubMed ID: 23249019
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]