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.
209 related articles for article (PubMed ID: 16712103)
21. 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]
22. 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]
24. 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]
25. 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]
26. 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]
27. 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]
28. Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons. Berland K; Hyldgaard P J Chem Phys; 2010 Apr; 132(13):134705. PubMed ID: 20387952 [TBL] [Abstract][Full Text] [Related]
29. van der Waals forces in density functional theory: a review of the vdW-DF method. Berland K; Cooper VR; Lee K; Schröder E; Thonhauser T; Hyldgaard P; Lundqvist BI Rep Prog Phys; 2015 Jun; 78(6):066501. PubMed ID: 25978530 [TBL] [Abstract][Full Text] [Related]
30. 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]
31. 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]
32. 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]
33. 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]
34. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set. Vydrov OA; Wu Q; Van Voorhis T J Chem Phys; 2008 Jul; 129(1):014106. PubMed ID: 18624469 [TBL] [Abstract][Full Text] [Related]
35. 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]
36. 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]
37. Van der Waals-corrected density functional theory: benchmarking for hydrogen-nanotube and nanotube-nanotube interactions. Du AJ; Smith SC Nanotechnology; 2005 Oct; 16(10):2118-23. PubMed ID: 20817982 [TBL] [Abstract][Full Text] [Related]
38. A van der Waals density functional study of ice Ih. Hamada I J Chem Phys; 2010 Dec; 133(21):214503. PubMed ID: 21142304 [TBL] [Abstract][Full Text] [Related]
39. Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers. Marom N; Tkatchenko A; Scheffler M; Kronik L J Chem Theory Comput; 2010 Jan; 6(1):81-90. PubMed ID: 26614321 [TBL] [Abstract][Full Text] [Related]
40. Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene. de Lara-Castells MP; Mitrushchenkov AO; Stoll H J Chem Phys; 2015 Sep; 143(10):102804. PubMed ID: 26373997 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]