157 related articles for article (PubMed ID: 23822266)
1. Mechanical properties of hydrogenated bilayer graphene.
Andrew RC; Mapasha RE; Chetty N
J Chem Phys; 2013 Jun; 138(24):244709. PubMed ID: 23822266
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions.
Amft M; Lebègue S; Eriksson O; Skorodumova NV
J Phys Condens Matter; 2011 Oct; 23(39):395001. PubMed ID: 21891833
[TBL] [Abstract][Full Text] [Related]
4. Testing several recent van der Waals density functionals for layered structures.
Björkman T
J Chem Phys; 2014 Aug; 141(7):074708. PubMed ID: 25149807
[TBL] [Abstract][Full Text] [Related]
5. CO2 capture by metal-organic frameworks with van der Waals density functionals.
Poloni R; Smit B; Neaton JB
J Phys Chem A; 2012 May; 116(20):4957-64. PubMed ID: 22519821
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.
Berland K; Jiao Y; Lee JH; Rangel T; Neaton JB; Hyldgaard P
J Chem Phys; 2017 Jun; 146(23):234106. PubMed ID: 28641426
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 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]
10. 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]
11. 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]
12. 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]
13. 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]
14. 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]
15. 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]
16. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers.
Kelkkanen AK; Lundqvist BI; Nørskov JK
J Chem Phys; 2009 Jul; 131(4):046102. PubMed ID: 19655929
[TBL] [Abstract][Full Text] [Related]
17. Next-Generation Nonlocal van der Waals Density Functional.
Chakraborty D; Berland K; Thonhauser T
J Chem Theory Comput; 2020 Sep; 16(9):5893-5911. PubMed ID: 32786912
[TBL] [Abstract][Full Text] [Related]
18. How critical are the van der Waals interactions in polymer crystals?
Liu CS; Pilania G; Wang C; Ramprasad R
J Phys Chem A; 2012 Sep; 116(37):9347-52. PubMed ID: 22937808
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
