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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

381 related articles for article (PubMed ID: 29447445)

  • 1. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions.
    Hermann J; Tkatchenko A
    J Chem Theory Comput; 2018 Mar; 14(3):1361-1369. PubMed ID: 29447445
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An assessment of density functionals for predicting CO
    Lee JH; Hyldgaard P; Neaton JB
    J Chem Phys; 2022 Apr; 156(15):154113. PubMed ID: 35459296
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Test of a nonempirical density functional: short-range part of the van der Waals interaction in rare-gas dimers.
    Tao J; Perdew JP
    J Chem Phys; 2005 Mar; 122(11):114102. PubMed ID: 15836196
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 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. Interaction between water and carbon nanostructures: How good are current density functional approximations?
    Brandenburg JG; Zen A; Alfè D; Michaelides A
    J Chem Phys; 2019 Oct; 151(16):164702. PubMed ID: 31675894
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Frozen density embedding with hybrid functionals.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2010 Oct; 133(16):164111. PubMed ID: 21033779
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes.
    Tao J; Yang J; Rappe AM
    J Chem Phys; 2015 Apr; 142(16):164302. PubMed ID: 25933759
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nonlocal van der Waals functionals: the case of rare-gas dimers and solids.
    Tran F; Hutter J
    J Chem Phys; 2013 May; 138(20):204103. PubMed ID: 23742450
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Benchmark Assessment of the Accuracy of Several van der Waals Density Functionals.
    Vydrov OA; Van Voorhis T
    J Chem Theory Comput; 2012 Jun; 8(6):1929-34. PubMed ID: 26593827
    [TBL] [Abstract][Full Text] [Related]  

  • 13. First principles study of graphene on metals with the SCAN and SCAN+rVV10 functionals.
    Shepard S; Smeu M
    J Chem Phys; 2019 Apr; 150(15):154702. PubMed ID: 31005078
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Rationale for switching to nonlocal functionals in density functional theory.
    Lazić P; Atodiresei N; Caciuc V; Brako R; Gumhalter B; Blügel S
    J Phys Condens Matter; 2012 Oct; 24(42):424215. PubMed ID: 23032957
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FDE-vdW: A van der Waals inclusive subsystem density-functional theory.
    Kevorkyants R; Eshuis H; Pavanello M
    J Chem Phys; 2014 Jul; 141(4):044127. PubMed ID: 25084901
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes.
    Corminboeuf C
    Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation.
    Hyldgaard P; Jiao Y; Shukla V
    J Phys Condens Matter; 2020 Jun; 32(39):. PubMed ID: 32213670
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. 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]  

    [Next]    [New Search]
    of 20.