384 related articles for article (PubMed ID: 28109219)
1. The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface.
Morbec JM; Kratzer P
J Chem Phys; 2017 Jan; 146(3):034702. PubMed ID: 28109219
[TBL] [Abstract][Full Text] [Related]
2. Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au(111) surface.
Mura M; Gulans A; Thonhauser T; Kantorovich L
Phys Chem Chem Phys; 2010 May; 12(18):4759-67. PubMed ID: 20428556
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. Modeling adsorption and reactions of organic molecules at metal surfaces.
Liu W; Tkatchenko A; Scheffler M
Acc Chem Res; 2014 Nov; 47(11):3369-77. PubMed ID: 24915492
[TBL] [Abstract][Full Text] [Related]
6. Tuning the work function of stepped metal surfaces by adsorption of organic molecules.
Jiang Y; Li J; Su G; Ferri N; Liu W; Tkatchenko A
J Phys Condens Matter; 2017 May; 29(20):204001. PubMed ID: 28345536
[TBL] [Abstract][Full Text] [Related]
7. Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: vacuum level shifts and electronic structures.
Toyoda K; Hamada I; Lee K; Yanagisawa S; Morikawa Y
J Chem Phys; 2010 Apr; 132(13):134703. PubMed ID: 20387950
[TBL] [Abstract][Full Text] [Related]
8. Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.
Silvestrelli PL; Ambrosetti A
J Chem Phys; 2014 Mar; 140(12):124107. PubMed ID: 24697424
[TBL] [Abstract][Full Text] [Related]
9. Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver.
Yuan D; Han Z; Czap G; Chiang CL; Xu C; Ho W; Wu R
J Phys Chem Lett; 2016 Jun; 7(12):2228-33. PubMed ID: 27232051
[TBL] [Abstract][Full Text] [Related]
10. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions.
Shimojo F; Wu Z; Nakano A; Kalia RK; Vashishta P
J Chem Phys; 2010 Mar; 132(9):094106. PubMed ID: 20210388
[TBL] [Abstract][Full Text] [Related]
11. Physisorption of nucleobases on graphene: a comparative van der Waals study.
Le D; Kara A; Schröder E; Hyldgaard P; Rahman TS
J Phys Condens Matter; 2012 Oct; 24(42):424210. PubMed ID: 23032709
[TBL] [Abstract][Full Text] [Related]
12. On the role of long range interactions for the adsorption of sexithiophene on Ag(110) surface.
Matos J; Rojas T; Yildirim H; Kara A
J Chem Phys; 2014 Apr; 140(14):144703. PubMed ID: 24735309
[TBL] [Abstract][Full Text] [Related]
13. Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections.
Freire RL; Kiejna A; Da Silva JL
Phys Chem Chem Phys; 2016 Oct; 18(42):29526-29536. PubMed ID: 27747329
[TBL] [Abstract][Full Text] [Related]
14. Effect of dispersion correction on the Au(1 1 1)-H2O interface: a first-principles study.
Nadler R; Sanz JF
J Chem Phys; 2012 Sep; 137(11):114709. PubMed ID: 22998283
[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. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods.
Ganesh P; Kim J; Park C; Yoon M; Reboredo FA; Kent PR
J Chem Theory Comput; 2014 Dec; 10(12):5318-23. PubMed ID: 26583215
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Density, structure, and dynamics of water: the effect of van der Waals interactions.
Wang J; Román-Pérez G; Soler JM; Artacho E; Fernández-Serra MV
J Chem Phys; 2011 Jan; 134(2):024516. PubMed ID: 21241129
[TBL] [Abstract][Full Text] [Related]
19. Comparative study of van der Waals corrections to the bulk properties of graphite.
Rêgo CR; Oliveira LN; Tereshchuk P; Da Silva JL
J Phys Condens Matter; 2015 Oct; 27(41):415502. PubMed ID: 26417925
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
